JAZL/ChemGist-CHON huggingface dataset:
Compound: ESTRATETRAENOL
SMILES: Oc1cc2c([C@@H]3[C@H]([C@H]4[C@](C=CC4)(C)CC3)CC2)cc1
InChIKey: CRMOMCHYBNOFIV-BDXSIMOUSA-N
Synonyms: ESTRATETRAENOL, 1150-90-9, Estra-1,3,5(10),16-tetraen-3-ol, 16-estratetraen-3-ol, 4QD0FTG3VT, COMPOUND-742, 1,3,5,(10),16-Estratetraen-3-ol, CHEBI:62849, RefChem:921171, 1,3,5(10),16-estratetraen-3-ol, (8S,9S,13R,14S)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol, oestra-1,3,5(10),16-tetraen-3-ol, (8S,9S,13R,14S)-13-Methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-3-ol, Compound 742, UNII-4QD0FTG3VT, Estra-1,3,5(10),16-tetraen-3-ol; Compound 742, Estra-1,3,5(10)-16-tetraen-3-ol, SCHEMBL1249500, CHEMBL1080216, SCHEMBL29489438, DTXSID80921587, AKOS028108906, FE22835, (3aS,3bS,9bS,11aR)-11a-methyl-3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol, Estra-1(10),2,4,16-tetraen-3-ol, F20839, Q5401785
Theoretical properties:
molecular_formula: C18H22O
molecular_weight: 254.4 g/mol
exact_mass: 254.167065321 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 19
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 16-estratetraen-3-ol is a 3-hydroxy steroid that is obtained by formal dehydration at the 17-position of estradiol. It derives from a hydride of an androstane.
chebi: A 3-hydroxy steroid that is obtained by formal dehydration at the 17-position of estradiol.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Estratetraenol, also known as estra-1,3,5(10),16-tetraen-3-ol, is an endogenous steroid found in women that has been described as having pheromone-like activities in primates, including humans. Estratetraenol is synthesized from androstadienone by aromatase likely in the ovaries, and is related to the estrogen sex hormones, yet has no known estrogenic effects. It was first identified from the urine of pregnant women.
Estratetraenyl acetate, or estra-1,3,5(10),16-tetraen-3-yl acetate, is a more potent synthetic derivative of estratetraenol.
Estratetraenol is an estrane (C18) steroid and an analogue of estradiol where the C17β hydroxyl group has been removed and a double bond has been formed between the C16 and C17 positions.
Compound: Androstadienone
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@](C=CC4)(C)CC3)CC2)(C)CC1
InChIKey: HNDHDMOSWUAEAW-VMXHOPILSA-N
Synonyms: Androstadienone, Androsta-4,16-dien-3-one, 4,16-Androstadien-3-one, 4075-07-4, ZUZ4FHD36E, DTXSID00863314, delta4,16-Androstadien-3-one, NSC-93234, RefChem:96130, DTXCID601511385, 639-099-6, .DELTA.4,16-Androstadien-3-one, (8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one, NSC 93234, UNII-ZUZ4FHD36E, (+)-ANDROSTADIENONE, SCHEMBL219161, Delta4-Androst-16-en-3-one, .delta.(Sup4,16)-Androstadien-3-one, (3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, F20841, Q2688206, (8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Theoretical properties:
molecular_formula: C19H26O
molecular_weight: 270.4 g/mol
exact_mass: 270.198365449 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 20
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Androstadienone, or androsta-4,16-dien-3-one, is a 16-androstene class endogenous steroid that has been described as having potent pheromone-like activities in humans. The compound is synthesized from androstadienol by 3β-hydroxysteroid dehydrogenase, and can be converted into androstenone (a more potent and odorous pheromone) by 5α-reductase, which can subsequently be converted into 3α-androstenol or 3β-androstenol (also more potent and odorous pheromones) by 3-ketosteroid reductase.
Androstadienone is related to the androgen sex hormones; however, androstadienone does not exhibit any androgenic or anabolic effects. Though it has been reported to significantly affect the mood of heterosexual women and homosexual men, it does not alter behavior overtly, although it may have more subtle effects on attention.
Androstadienone is commonly sold in male fragrances; it is purported to increase sexual attraction. Androstadienone, in picogram quantities, has been shown to have "significant reduction of nervousness, tension and other negative feeling states" in female subjects.
Compound: SCHEMBL377303
SMILES: O=C1OC[C@H](C1)[C@@H]2[C@@]3([C@@H]([C@H]4[C@@H]([C@]5(C=CCCC5CC4)C)CC3)CC2)C
InChIKey: NMLOFHCUVXKTGV-OCYOQFCJSA-N
Synonyms: SCHEMBL377303
Theoretical properties:
molecular_formula: C23H34O2
molecular_weight: 342.5 g/mol
exact_mass: 342.255880323 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 25
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: SCHEMBL377305
SMILES: O=C1OCC(C1)C2C=CC3C2(CCC4C3CCC5C4(CCCC5)C)C
InChIKey: PHLRMGUUVNOKNG-UHFFFAOYSA-N
Synonyms: SCHEMBL377305, Q423910, 4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one
Theoretical properties:
molecular_formula: C23H34O2
molecular_weight: 342.5 g/mol
exact_mass: 342.255880323 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 25
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: SCHEMBL377705
SMILES: O=c1occ(C2C3(C(C4C(C5(C(CCCC5)CC4)C)CC3)CC2)C)cc1
InChIKey: YBPMPRDOWHIVNA-UHFFFAOYSA-N
Synonyms: SCHEMBL377705, SCHEMBL14230876, Q248891, 5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one
Theoretical properties:
molecular_formula: C24H34O2
molecular_weight: 354.5 g/mol
exact_mass: 354.255880323 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 26
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: The simplest member of the class of  bufadienolides that is bufanolide with unsaturation at positions 20 and 22.
Compound: Isomescaline
SMILES: O(c1c(OC)c(ccc1OC)CCN)C
InChIKey: PVLFQRLVSMMSQK-UHFFFAOYSA-N
Synonyms: Isomescaline, 2,3,4-Trimethoxyphenethylamine, 3937-16-4, Benzeneethanamine, 2,3,4-trimethoxy-, Y5A6OUU263, DTXSID60192571, RefChem:149539, DTXCID00115062, 2-(2,3,4-trimethoxyphenyl)ethan-1-amine, 2-(2,3,4-trimethoxyphenyl)ethanamine, UNII-Y5A6OUU263, Phenethylamine, 2,3,4-trimethoxy-, IM (PSYCHEDELIC), trimethoxybenzeneethanamine, CHEMBL280797, SCHEMBL1253168, DAA93716, AKOS000157490, 2,3,4-TRIMETHOXYBENZENEETHANAMINE, 2-(2,3,4-TRIMETHOXYPHENYL)ETHYLAMINE, EN300-55077, 2,3,4-TRIMETHOXY-.BETA.-PHENETHYLAMINE, AK-906/11162005, Q4896631, Z285143782
Theoretical properties:
molecular_formula: C11H17NO3
molecular_weight: 211.26 g/mol
exact_mass: 211.12084340 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 15
topological_polar_surface_area: 53.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isomescaline (IM), also known as 2,3,4-trimethoxyphenethylamine (2,3,4-TMPEA) or as TMPEA-3 or 2C-TMA-3, is a chemical compound of the phenethylamine and scaline families related to the psychedelic drug mescaline (3,4,5-trimethoxyphenethylamine; 2,3,4-TMPEA). It is one of several possible positional isomers of trimethoxyphenethylamine (TMPEA). In addition, it is the positional isomer of mescaline in which the methoxy groups on the phenyl ring are located at the 2, 3, and 4 positions instead of at the 3, 4, and 5 positions.
In his book PiHKAL (Phenethylamines I Have Known and Loved) and other publications, Alexander Shulgin lists isomescaline's dose as greater than 400 mg orally and its duration as unknown. The compound produced no effects at tested doses of up to 400 mg orally in humans. It was concluded that isomescaline is inactive.
The chemical synthesis of isomescaline has been described. Analogues of isomescaline include 2,3,4-trimethoxyamphetamine (2,3,4-TMA; TMA-3; α-methylisomescaline) and the thioisomescaline (TIM) compounds, among others.
Isomescaline was first described in the scientific literature by L. Clark and colleagues by 1965. Subsequently, it was described in greater detail by Shulgin in PiHKAL in 1991. Isomescaline is not a controlled substance in Canada as of 2025.
Compound: 63918-08-1
SMILES: O(c1c(OCC)cc(CCN)cc1OC)CC
InChIKey: VFOAVFQWZYUFQZ-UHFFFAOYSA-N
Synonyms: 63918-08-1, 3,4-Diethoxy-5-methoxybenzeneethanamine, DTXSID20213690, RefChem:1065731, DTXCID50136181, Asymbescaline, ETHYLAMINE, 3,4-DIETHOXY-5-METHOXYPHENYL-, 3,4-Diethoxy-5-methoxyphenethylamine, F5H6Z6VQ2Z, BRN 6060481, 3,4-Diethoxy-5-methoxyphenylethylamine, benzeneethanamine, 3,4-diethoxy-5-methoxy-, ASB (PSYCHEDELIC), UNII-F5H6Z6VQ2Z, 2-(3,4-diethoxy-5-methoxyphenyl)ethan-1-amine, CHEMBL124125, SCHEMBL20970970, DB-314771, PHENETHYLAMINE, 3,4-DIETHOXY-5-METHOXY-, Q4812058
Theoretical properties:
molecular_formula: C13H21NO3
molecular_weight: 239.31 g/mol
exact_mass: 239.15214353 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 7
heavy_atom_count: 17
topological_polar_surface_area: 53.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Asymbescaline (ASB), also known as 3,4-diethoxy-5-methoxyphenethylamine, is a psychedelic drug of the phenethylamine and scaline families related to mescaline. It is the analogue of mescaline in which the methoxy groups at the 3 and 4 positions have been replaced with ethoxy groups.
Compound: Symbescaline
SMILES: O(c1c(OC)c(OCC)cc(c1)CCN)CC
InChIKey: ROKMKYBLAPLLER-UHFFFAOYSA-N
Synonyms: Symbescaline, 3,5-Diethoxy-4-methoxyphenethylamine, UP8DY84WAK, 2-(3,5-diethoxy-4-methoxyphenyl)ethanamine, 90109-61-8, UNII-UP8DY84WAK, 3,5-Diethoxy-4-methoxybenzeneethanamine, Benzeneethanamine, 3,5-diethoxy-4-methoxy-, SB (PSYCHEDELIC), 2-(3,5-Diethoxy-4-methoxyphenyl)ethan-1-amine, CHEMBL159684, SCHEMBL20970891, DTXSID10658551, Q4896594
Theoretical properties:
molecular_formula: C13H21NO3
molecular_weight: 239.31 g/mol
exact_mass: 239.15214353 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 7
heavy_atom_count: 17
topological_polar_surface_area: 53.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Symbescaline (SB), also known as 3,5-diethoxy-4-methoxyphenethylamine, is a psychoactive drug of the phenethylamine and scaline families related to mescaline. It is the analogue of mescaline in which the methoxy groups at the 3 and 5 positions have been replaced with ethoxy groups. In addition, symbescaline is a positional isomer of asymbescaline.
In his book PiHKAL (Phenethylamines I Have Known and Loved) and other publications, Alexander Shulgin lists symbescaline's dose as above 240 mg orally and its duration as unknown. The effects of symbescaline have been reported to include no effects, a vague threshold, a slight chill, and strange and disrupted sleep. It is said to have a very unpleasant taste. Shulgin concluded that symbescaline is "probably not active".
The chemical synthesis of symbescaline has been described.
Symbescaline was first described in the scientific literature by Alexander Shulgin and Peyton Jacob III in 1984. Subsequently, it was described in greater detail by Shulgin in PiHKAL in 1991.
Compound: Buscaline
SMILES: O(c1c(OC)cc(CCN)cc1OC)CCCC
InChIKey: CHHALFOHMQNBAW-UHFFFAOYSA-N
Synonyms: Buscaline, 4W9CQK6FS8, 2-(4-Butoxy-3,5-dimethoxyphenyl)ethan-1-amine, 64778-75-2, UNII-4W9CQK6FS8, 4-Butoxy-3,5-dimethoxybenzeneethanamine, Benzeneethanamine, 4-butoxy-3,5-dimethoxy-, CHEMBL159467, SCHEMBL20970875, DTXSID80568214, AKOS005930536, Q5001301
Theoretical properties:
molecular_formula: C14H23NO3
molecular_weight: 253.34 g/mol
exact_mass: 253.16779360 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 8
heavy_atom_count: 18
topological_polar_surface_area: 53.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Buscaline (B), also known as 4-butoxy-3,5-dimethoxyphenethylamine, is a psychoactive drug of the phenethylamine and scaline families related to mescaline. It is the derivative of mescaline in which the methoxy group at the 4 position has been replaced with a butoxy group.
In his book PiHKAL (Phenethylamines I Have Known and Loved) and other publications, Alexander Shulgin lists buscaline's dose as greater than 150 mg orally and its duration as "several hours". The effects of buscaline have been reported to include a slight change from baseline, no noticeable visual or auditory effects, uninteresting mental effects, body load, more bodily effects than mental effects, brief heart arrhythmia, stomach discomfort, light diarrhea, cold feet, and slight uncomfortableness. No clear hallucinogenic effects were described.
The chemical synthesis of buscaline has been described. Analogues of buscaline include mescaline, escaline, proscaline, isoproscaline, isobuscaline, and thiobuscaline, among others. Shulgin concluded based on investigation of buscaline that there would not be value in exploration of higher homologues of mescaline extended at the 4 position.
Buscaline was first described in the scientific literature in 1930. Subsequently, it was described in greater detail by Shulgin in PiHKAL in 1991.
Compound: Phenescaline
SMILES: O(c1c(OC)cc(CCN)cc1OC)CCc2ccccc2
InChIKey: FKXBCTFKCKEDNI-UHFFFAOYSA-N
Synonyms: Phenescaline, U7NN1HPH0Z, 2-(3,5-dimethoxy-4-phenethoxyphenyl)ethanamine, 207740-42-9, UNII-U7NN1HPH0Z, CHEMBL465866, 3,5-Dimethoxy-4-(2-phenylethoxy)benzeneethanamine, 2-(3,5-Dimethoxy-4-(2-phenylethoxy)phenyl)ethanamine, Benzeneethanamine, 3,5-dimethoxy-4-(2-phenylethoxy)-, PE (PSYCHEDELIC), SCHEMBL20970890, DTXSID00659517, BDBM50251265, 3,5-dimethoxy-4-phenethoxyphenethylamine, PD179807, Q7181337, 2-[3,5-Dimethoxy-4-(2-phenylethoxy)phenyl]ethan-1-amine
Theoretical properties:
molecular_formula: C18H23NO3
molecular_weight: 301.4 g/mol
exact_mass: 301.16779360 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 8
heavy_atom_count: 22
topological_polar_surface_area: 53.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phenescaline, also known as 3,5-dimethoxy-4-phenylethoxyphenethylamine, is a psychoactive drug of the phenethylamine and scaline families related to mescaline. It is the derivative of mescaline in which the methoxy group at the 4 position has been replaced with a phenylethoxy group. In his book PiHKAL (Phenethylamines I Have Known and Loved), Alexander Shulgin lists phenescaline's dose as greater than 150 mg orally and its duration as unknown. The effects of phenescaline have been reported to include threshold effects and a vague unreal feeling as if one had not had enough sleep. The drug shows affinity for the serotonin 5-HT2A receptor (Ki = 59 nM). The chemical synthesis of phenescaline has been described. Phenescaline was first described in the literature by Shulgin in PiHKAL in 1991.
Compound: Metaescaline
SMILES: O(c1c(OC)c(OC)cc(c1)CCN)CC
InChIKey: HNBAVLIQFTYMAX-UHFFFAOYSA-N
Synonyms: Metaescaline, 3-Ethoxy-4,5-dimethoxyphenethylamine, 2-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine, 90132-31-3, M4HNS35MM2, 3-Ethoxy-4,5-dimethoxybenzeneethanamine, RefChem:201631, UNII-M4HNS35MM2, 3,4-dimethoxy-5-ethoxyphenethylamine, ME (PSYCHEDELIC), 2-(3-Ethoxy-4,5-dimethoxyphenyl)ethan-1-amine, CHEMBL126963, SCHEMBL20970881, SCHEMBL30261185, DTXSID30658376, Q6553397
Theoretical properties:
molecular_formula: C12H19NO3
molecular_weight: 225.28 g/mol
exact_mass: 225.13649347 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 6
heavy_atom_count: 16
topological_polar_surface_area: 53.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Metaescaline (ME), also known as 3-ethoxy-4,5-dimethoxyphenethylamine, is a psychedelic drug of the phenethylamine and scaline families related to mescaline. It is the analogue of mescaline in which the methoxy group at the 3 position has been replaced with an ethoxy group. The drug is also the positional isomer of escaline in which the methoxy group at the 3 (meta) position and the ethoxy group at the 4 position have been interchanged.
SMILES: O=C1N(C(=O)C(N1)(C)C)C[C@H](C(=O)NO)[C@H](C(=O)N2CCCCC2)CC3CCCC3
InChIKey: SBDOKVUQABPROR-CVEARBPZSA-N
Theoretical properties:
molecular_formula: C21H34N4O5
molecular_weight: 422.5 g/mol
exact_mass: 422.25292020 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 7
heavy_atom_count: 30
topological_polar_surface_area: 119 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: 2,5-Dimethoxyphenethylamine
SMILES: O(c1c(cc(OC)cc1)CCN)C
InChIKey: WNCUVUUEJZEATP-UHFFFAOYSA-N
Synonyms: 2,5-Dimethoxyphenethylamine, 3600-86-0, UNII-9A8XF4GA0X, DTXSID80189564, NSC 168525, RefChem:82916, DTXCID40112055, 625-021-8, WNCUVUUEJZEATP-UHFFFAOYSA-N, 2-(2,5-Dimethoxyphenyl)ethanamine, 2-(2,5-Dimethoxy-phenyl)-ethylamine, 2-(2,5-Dimethoxyphenyl)Ethan-1-Amine, 2,5-Dimethoxyphenethylamine-d6, 2C-H, 2-(2,5-Dimethoxyphenyl)Ethylamine, 9A8XF4GA0X, CHEMBL287047, NSC-168525, benzeneethanamine, 2,5-dimethoxy-, SCHEMBL479514, SCHEMBL7558636, DEA No. 7517, SCHEMBL29491077, (2,5-Dimethoxyphenyl)ethylamine, CHEBI:125507, 2,5-Dimethoxyphenethylamine, 97%, BNB44277, BDBM50026778, NSC168525, 2-(2,5-Dimethoxyphenyl)ethanamine #, AKOS000162038, AC-6627, PHENETHYLAMINE, 2,5-DIMETHOXY-, PD046579, DB-027456, NS00015658, 2-(2-AMINOETHYL)-1,4-DIMETHOXYBENZENE, Q4633049, BRD-K20985754-001-01-9
Theoretical properties:
molecular_formula: C10H15NO2
molecular_weight: 181.23 g/mol
exact_mass: 181.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 13
topological_polar_surface_area: 44.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2-(2,5-dimethoxyphenyl)ethanamine is a dimethoxybenzene.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2C-B, also known as 4-bromo-2,5-dimethoxyphenethylamine or by names such as Nexus or Erox, is a psychedelic drug of the phenethylamine and 2C families. The drug is used as a recreational drug and is usually taken orally. 2C-B produces hallucinogenic, mild stimulant, and mild entactogenic-like effects. Its hallucinogenic effects at typical doses are milder than those of other psychedelics like LSD or psilocybin.
The drug acts as a potent partial agonist of the serotonin 5-HT2 receptors, including of the serotonin 5-HT2A receptor. It produces psychedelic-like effects in animals. Numerous analogues and derivatives of 2C-B are known, such as DOB, 2C-B-FLY, and 25B-NBOMe among others.
2C-B was developed by Alexander Shulgin in 1974 and was described by him in the scientific literature in 1975. The drug also emerged as a novel recreational designer drug and MDMA (ecstasy) substitute in the mid-1980s. Subsequently, it became a controlled substance in the United States in the mid-1990s. 2C-B was one of the first 2C psychedelics to be described. It is the most popular and well-known of the 2C psychedelics and is one of the most widely used designer drugs.
Compound: 214414-88-7
SMILES: O1c2c(ccc(c2)CC(N(O)C)C)OC1
InChIKey: ORADFQZOLNHWRQ-UHFFFAOYSA-N
Synonyms: 214414-88-7, MDHMA, 3,4-Methylenedioxy-N-hydroxy-N-methylamphetamine, E2816HU3KT, UNII-E2816HU3KT, Methylenedioxyhydroxymethamphetamine, 1,3-Benzodioxole-5-ethanamine, N-hydroxy-N,alpha-dimethyl-, N-Hydroxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine, 1,3-BENZODIOXOLE-5-ETHANAMINE, N-HYDROXY-N,.ALPHA.-DIMETHYL-, N-HYDROXY-N,.ALPHA.-DIMETHYL-1,3-BENZODIOXOLE-5-ETHANAMINE, RefChem:91256, Flea, N-hydroxy MDMA (hemioxalate), N-Hydroxy MDMA, FLEA (PSYCHEDELIC), n-hydroxy-n-methyl-3,4-methylenedioxyamphetamine, CHEMBL126343, SCHEMBL5478414, SCHEMBL29633182, DTXSID90658377, AKOS015904530, C22806, 1-(1,3-Benzodioxol-5-yl)-N-hydroxy-N-methylpropan-2-amine, 1-(2H-1,3-Benzodioxol-5-yl)-N-hydroxy-N-methylpropan-2-amine, N-Methyl-N-[1-(3,4-methylenedioxyphenyl)propan-2-yl]hydroxylamine
Theoretical properties:
molecular_formula: C11H15NO3
molecular_weight: 209.24 g/mol
exact_mass: 209.10519334 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 15
topological_polar_surface_area: 41.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 3,4-Methylenedioxy-N-hydroxy-N-methylamphetamine, also known as MDMOH, MDHMA, or FLEA, is an entactogen, psychedelic, and stimulant of the phenethylamine, amphetamine, and MDxx families. It is the N-hydroxy homologue of MDMA ("Ecstasy"), and the N-methyl homologue of MDOH.
Compound: Psi-DOM
SMILES: O(c1c(c(OC)cc(c1)C)CC(N)C)C
InChIKey: CFFJUEYUTHKVMQ-UHFFFAOYSA-N
Synonyms: Psi-DOM, 1-(2,6-dimethoxy-4-methylphenyl)propan-2-amine, 2,6-dimethoxy-4-methylamphetamine, 80888-36-4, JW946TWT6M, UNII-JW946TWT6M, CHEMBL293399, 2,6-Dimethoxy-alpha,4-dimethylbenzeneethanamine, Benzeneethanamine, 2,6-dimethoxy-alpha,4-dimethyl-, Benzeneethanamine, 2,6-dimethoxy-alpha,4-dimethyl-, (+/-)-, 1-(2,6-Dimethoxy-4-methylphenyl)-2-propanamine, SCHEMBL2562975, DTXSID20548454, BDBM50115832, PD178824, 2-(2,6-Dimethoxy-4-methyl-phenyl)-1-methyl-ethylamine, 2,6-DIMETHOXY-.ALPHA.,4-DIMETHYLBENZENEETHANAMINE, BENZENEETHANAMINE, 2,6-DIMETHOXY-.ALPHA.,4-DIMETHYL-, BENZENEETHANAMINE, 2,6-DIMETHOXY-.ALPHA.,4-DIMETHYL-, (+/-)-
Theoretical properties:
molecular_formula: C12H19NO2
molecular_weight: 209.28 g/mol
exact_mass: 209.141578849 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 44.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Z7 may refer to :

Z7, IATA code for ADC Airlines (1984–2007)
Z7, IATA code for Zimbabwe flyafrica.com (2014–2015)
Z7 Operation Rembrandt, a 1966 German-Italian-Spanish film
Volari Z7, a graphic chip produced by XGI Technology
Z07, a 1997 BMW concept car
Nikon Z7, a full-frame mirrorless camera produced by Nikon
Nikon Z7II, a reworked model of the previous
ψ-DOM (psi-DOM), a psychedelic drug
SAIC Z7, a Chinese full-size sedan and shooting brake