JAZL/ChemGist-CHON huggingface dataset:
Compound: FENPROPOREX
SMILES: N#CCCNC(Cc1ccccc1)C
InChIKey: IQUFSXIQAFPIMR-UHFFFAOYSA-N
Synonyms: FENPROPOREX, Femproporex, 16397-28-7, Fenorex, W0194S5FOA, DTXSID0043921, J268.797F, 3-[(1-phenylpropan-2-yl)amino]propanenitrile, Fenproporexum, 3-((1-phenylpropan-2-yl)amino)propanenitrile, RefChem:140202, DTXCID8023921, 239-772-0, 240-444-4, Desobesi, Fenproporex (INN), 3-[(1-METHYL-2-PHENYLETHYL)AMINO]PROPIONONITRILE, FENPROPOREX [INN], Fenproporex [INN:DCF], Femproporex [INN-Spanish], Fenproporexum [INN-Latin], 3-((1-Methyl-2-phenylethyl)amino)propiononitrile, EINECS 239-772-0, UNII-W0194S5FOA, DEA No. 1575, EINECS 240-444-4, Fenorex (TN), FENPROPOREX [MI], N-2-cyanoethylamphetamine, N-(2-Cyanoethyl)amphetamine, FENPROPOREX [WHO-DD], SCHEMBL157687, CHEMBL2105566, CHEBI:134837, (.+/-.)-N-2-Cyanoethylamphetamine, DB01550, 15686-61-0, benzene, 2-(N-(2-cyano)ethyl)aminopropyl-, NS00006931, D07947, 3-[(1-Methyl-2-phenylethyl)amino]propanenitrile #, Q5443577, (.+/-.)-3-[(.alpha.-Methylphenethyl)amino]propionitrile, (+/-)-3-((.ALPHA.-METHYLPHENETHYL)AMINO)PROPIONITRILE, Propanenitrile, 3-[(1-methyl-2-phenylethyl)amino]-, (.+/-.)-, Propionitrile, 3-((.alpha.-methylphenethyl)amino)-, (.+/-.)-
Theoretical properties:
molecular_formula: C12H16N2
molecular_weight: 188.27 g/mol
exact_mass: 188.131348519 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 14
topological_polar_surface_area: 35.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Fenproporex is a member of amphetamines.
chembl: FENPROPOREX is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Fenproporex (Perphoxene) (N-2-Cyanoethylamphetamine) (3-(1-phenylpropan-2-ylamino)propanenitrile) (3-[(1-Methyl-2-Phenylethyl)amino]propiononitrile) is a stimulant drug of the phenethylamine and amphetamine chemical classes that was developed in the 1960s. It is used as an appetite suppressant for the treatment of obesity.
Fenproporex produces amphetamine as a metabolite and was withdrawn in many countries following problems with abuse, but it is still prescribed in some countries. It is sometimes combined with benzodiazepines, antidepressants, and other compounds to create a version of the "rainbow diet pill".
Fenproporex has never been approved by the US Food and Drug Administration (FDA) for sale in the US due to lack of efficacy and safety data. However, in March 2009, the FDA warned consumers that it has been detected as an unlabeled component of diet pills available over the Internet. Fenproporex is designated a Schedule IV controlled substance in the US pursuant to the Controlled Substances Act.
Fenproporex is on the list of substances banned by the World Anti-Doping Agency, and any sportsperson testing positive for the substance faces a ban from competition.
Compound: Amfetaminil
SMILES: N#CC(NC(Cc1ccccc1)C)c2ccccc2
InChIKey: NFHVTCJKAHYEQN-UHFFFAOYSA-N
Synonyms: Amfetaminil, Amphetaminil, 17590-01-1, Amfetaminilum, anfetaminilo, 0XU0V77JVE, NSC-67172, N-(alpha-Methylphenethyl)-2-phenylglycinonitrile, DTXSID80864783, RefChem:111917, DTXCID30813261, 241-560-8, Aponeuron, dl-Amphetaminil, AN 1 (pharmaceutical), Amfetaminil [INN], AN 1, NSC 67172, ((alpha-Methylphenethyl)amino)phenylacetonitrile, 2-phenyl-2-(1-phenylpropan-2-ylamino)acetonitrile, ACETONITRILE, ((alpha-METHYLPHENETHYL)AMINO)PHENYL-, Amfetaminil (INN), Acetonitrile, [(.alpha.-methylphenethyl)amino]phenyl-, Benzeneacetonitrile, .alpha.-[(1-methyl-2-phenylethyl)amino]-, N-(.beta.-Phenylisopropyl)-.alpha.-aminophenylacetonitrile, Amfetaminilo, .alpha.-Phenyl-.alpha.-(1-phenylisopropyl)aminoacetonitrile, Amfetaminilum [INN-Latin], Amfetaminilo [INN-Spanish], AN 1 (VAN), EINECS 241-560-8, UNII-0XU0V77JVE, BRN 2056148, Amphetaminil (Mixture of Diastereomers) (1.0mg/ml in Acetonitrile), 2-((alpha-Methylphenethyl)amino)-2-phenylacetonitril, alpha-Phenyl-alpha-(1-phenylisopropyl)aminoacetonitrile, N-(beta-Phenylisopropyl)-alpha-aminophenylacetonitrile, alpha-Phenyl-alpha(beta-phenylisopropylamino)acetonitrile, alpha-Phenyl-alpha-N-(1-phenylisopropyl)aminoacetonitrile, alpha-Phenyl-alpha-(1-methyl-2-phenyl)ethylaminoacetonitrile, Benzeneacetonitrile, alpha-((1-methyl-2-phenylethyl)amino)-, AMPHETAMINIL [MI], AMFETAMINIL [MART.], NCIOpen2_003034, AMFETAMINIL [WHO-DD], SCHEMBL160285, CHEMBL2104064, AN 1 (TN), CHEBI:135022, NSC67172, CS-0026237, NS00002441, D07446, Phenyl[(1-phenylpropan-2-yl)amino]acetonitrile, [(.alpha.-Methylphenethyl)amino]phenylacetonitrile, Q474630, N-(.alpha.-Methylphenethyl)-2-phenylglycinonitrile, [(1-Methyl-2-phenylethyl)amino](phenyl)acetonitrile #, .alpha.-Phenyl-.alpha.(.beta.-phenylisopropylamino)acetonitrile, .alpha.-Phenyl-.alpha.-N-(1-phenylisopropyl)aminoacetonitrile, .alpha.-Phenyl-.alpha.-(1-methyl-2-phenyl)ethylaminoacetonitrile
Theoretical properties:
molecular_formula: C17H18N2
molecular_weight: 250.34 g/mol
exact_mass: 250.146998583 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 19
topological_polar_surface_area: 35.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Amfetaminil is a member of amphetamines.
chembl: AMFETAMINIL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Amfetaminil (also known as amphetaminil, N-cyanobenzylamphetamine, and AN-1; brand name Aponeuron) is a stimulant drug derived from amphetamine, which was developed in the 1970s and used for the treatment of obesity, ADHD, and narcolepsy. It has largely been withdrawn from clinical use following problems with abuse. The drug is a prodrug to amphetamine.
Compound: Furfenorex
SMILES: o1c(ccc1)CN(C(Cc2ccccc2)C)C
InChIKey: DLGIIZAHQPTVCJ-UHFFFAOYSA-N
Synonyms: Furfenorex, Frugalan, d-Furfenorex, 3776-93-0, Furfenorexum, d-Furfurylmethylamphetamine, X83CZ0Y5TF, SD 27115 FREE BASE, SD-27115 FREE BASE, (+)-N-Methyl-N-(alpha-methylphenethyl)furfurylamine, FURFENOREX, (+)-, DTXSID1057903, 1-Phenyl-2-(N-methyl-N-furfurylamino)propane, RefChem:921938, Furfurylmethylamphetamine d-, DTXCID4031516, 223-233-1, dl-Furfenorex, Furfurylmethylamphetamine, 13445-60-8, Furfurylmethylamphetamine d-form, N-(furan-2-ylmethyl)-N-methyl-1-phenylpropan-2-amine, 554JE75W4N, 2-Furanmethanamine, N-methyl-N-(1-methyl-2-phenylethyl)-, 2-Furanmethanamine, N-methyl-N-(1-methyl-2-phenylethyl)-, (+)-, [(furan-2-yl)methyl](methyl)(1-phenylpropan-2-yl)amine, Furfenorex [INN:DCF], Furfenorexum [INN-Latin], EINECS 223-233-1, UNII-X83CZ0Y5TF, BRN 4137327, UNII-554JE75W4N, d-N-Methyl N-(phenyl-1 propyl-2) furfurylamine [French], FURFENOREX [INN], FURFENOREX [MART.], DSSTox_CID_31516, DSSTox_RID_97401, d-N-Methyl N-(phenyl-1 propyl-2) furfurylamine, DSSTox_GSID_57727, SCHEMBL164756, CHEMBL2107558, FURFENOREX, (+/-)-, Furfurylamine, N-methyl-N-(alpha-methylphenethyl)-, (+)-, CHEBI:134942, E-106-E [AS CYCLAMATE], Tox21_113981, SD 27115 [AS CYCLAMATE], FURFURYLMETHYLAMPHETAMINE DL-FORM, NCGC00274278-01, CAS-13445-60-8, FURFURYLMETHYLAMPHETAMINE D-FORM [MI], NS00030292, FURFURYLMETHYLAMPHETAMINE DL-FORM [MI], Furfurylamine, N-methyl-N-(alpha-methylphenethyl)-, Q1474922, N-(2-Furylmethyl)-N-methyl-1-phenyl-2-propanamine #, N-[(Furan-2-yl)methyl]-N-methyl-1-phenylpropan-2-amine, (+)-N-METHYL-N-(.ALPHA.-METHYLPHENETHYL)FURFURYLAMINE, S-(+)-N-METHYL-N-(.ALPHA.-METHYLPHENETHYL)FURFURYLAMINE
Theoretical properties:
molecular_formula: C15H19NO
molecular_weight: 229.32 g/mol
exact_mass: 229.146664230 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 17
topological_polar_surface_area: 16.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Furfenorex is a member of amphetamines.
chembl: FURFENOREX is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Furfenorex (Frugalan), also known as furfurylmethylamphetamine, is a stimulant drug which was developed in the 1960s and used as an appetite suppressant. It produces methamphetamine as a metabolite, and has been withdrawn from the market due to abuse potential.
Compound: Prallethrin
SMILES: O=C1C(=C(C)C(C1)OC(=O)C2C(C)(C)C2C=C(C)C)CC#C
InChIKey: SMKRKQBMYOFFMU-UHFFFAOYSA-N
Synonyms: Prallethrin, 23031-36-9, ETOC, DTXSID0032572, d,d-T80-Prallethrin, CHEBI:39391, DTXCID10196509, 2-methyl-4-oxo-3-prop-2-yn-1-ylcyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl ester, 2X67A9B2Z7, S-4068SF, RefChem:868372, S-4068, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, cis,trans-(+)-, 2-methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl ester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one, trans-(+-)-, 245-387-9, D-Prallethrin, Prallethrin(Mixture of diastereomers), 2-Methyl-4-oxo-3-(prop-2-yn-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, S 4068, S-4068 SF, 103065-19-6, (2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, MFCD03792792, SCHEMBL25223, orb3135804, MSK20199, Tox21_300644, AKOS030255345, NCGC00254552-01, CAS-23031-36-9, C18510, Prallethrin, PESTANAL(R), analytical standard, Q411286, (2-methyl-4-oxo-3-prop-2-ynyl-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one, trans-(.+/-.)-
Theoretical properties:
molecular_formula: C19H24O3
molecular_weight: 300.4 g/mol
exact_mass: 300.17254462 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 22
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow to yellow brown liquid
color: Yellow to yellow brown liquid
odor: Faint characteristic odor
boiling_point: 313.5 °C at 760 mm Hg
melting_point: Liquid at room temperatures
density: 1.03 at 20 °C/4 °C
solubility: In water, 8 mg/L at 25 °C
flash_point: 139 °C (282 °F) - closed cup
vapor_pressure: Vapor pressure: 3.5X10-5 mm Hg at 20 °C; 1X10-4 mm Hg at 30 °C
Descriptions:
pubchem: Prallethrin is a member of cyclopropanes and a terminal acetylenic compound. It has a role as an agrochemical and a pyrethroid ester insecticide. It is functionally related to a chrysanthemic acid.
wikipedia: Prallethrin is a pyrethroid insecticide and mosquito repellent.
Compound: 260550-89-8
SMILES: o1c2c(cccc2)cc1C[C@H](NCCC)CCC
InChIKey: LJHIBIVAYHQPBT-CQSZACIVSA-N
Synonyms: 260550-89-8, (R)-1-(Benzofuran-2-yl)-N-propylpentan-2-amine, (2r)-1-(1-benzofuran-2-yl)-n-propylpentan-2-amine, R-(-)-Bpap, 5XG5HU8U55, FPFS-1169 free base, UNII-5XG5HU8U55, r-(-)-1-(benzofuran-2-yl)-2-propylaminopentane, SCHEMBL2486381, [(2R)-1-(1-benzofuran-2-yl)pentan-2-yl](propyl)amine, DTXSID701027206, (alphaR)-N,alpha-Dipropyl-2-benzofuranethanamine, (2R)-1-(1-benzofuran-2-yl)-N-propylpentane-2-amine, (.ALPHA.R)-N,.ALPHA.-DIPROPYL-2-BENZOFURANETHANAMINE
Theoretical properties:
molecular_formula: C16H23NO
molecular_weight: 245.36 g/mol
exact_mass: 245.177964357 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 7
heavy_atom_count: 18
topological_polar_surface_area: 25.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: (–)-Benzofuranylpropylaminopentane (BPAP; developmental code name FPFS-1169) is an experimental drug related to selegiline which acts as a monoaminergic activity enhancer (MAE). It is orally active in animals.
BPAP is a highly potent MAE and enhances the nerve impulse propagation-mediated release of serotonin, norepinephrine, and dopamine. At much higher concentrations, BPAP is also a monoamine reuptake inhibitor, specifically of dopamine and norepinephrine and to a much lesser extent of serotonin. BPAP produces psychostimulant-like effects in animals, with these effects mediated by its MAE actions. The drug is a substituted benzofuran derivative and tryptamine relative structurally related to phenylpropylaminopentane (PPAP).
BPAP was first described in 1999. There has been interest in BPAP for potential clinical use in humans, including in the treatment of Parkinson's disease, Alzheimer's disease, and depression. There has also been interest in BPAP to help slow aging.
Compound: 784118-64-5
SMILES: N([C@@H](Cc1ccccc1)CCC)CCC
InChIKey: PBENSVGEGPJNFJ-CQSZACIVSA-N
Synonyms: 784118-64-5, (-)-Ppap, Phenylpropylaminopentane, (R)-, UZ3Q3C2Z57, Benzeneethanamine, N,alpha-dipropyl-, (alphaR)-, UNII-UZ3Q3C2Z57, (alphaR)-N,alpha-Dipropylbenzeneethanamine, Benzeneethanamine, N,alpha-dipropyl-, (-)-, (?r)-N,?-dipropylbenzeneethanamine, SCHEMBL19639848, DTXSID001296371, (2R)-1-phenyl-N-propylpentan-2-amine, (I+/-R)-N,I+/--Dipropylbenzeneethanamine, (.ALPHA.R)-N,.ALPHA.-DIPROPYLBENZENEETHANAMINE, BENZENEETHANAMINE, N,.ALPHA.-DIPROPYL-, (-)-, BENZENEETHANAMINE, N,.ALPHA.-DIPROPYL-, (.ALPHA.R)-
Theoretical properties:
molecular_formula: C14H23N
molecular_weight: 205.34 g/mol
exact_mass: 205.183049738 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 7
heavy_atom_count: 15
topological_polar_surface_area: 12 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 1-Phenyl-2-propylaminopentane (PPAP), also known as α,N-dipropylphenethylamine (DPPEA) and by the developmental code name MK-306, is an experimental drug related to selegiline which acts as a catecholaminergic activity enhancer (CAE).
PPAP is a CAE and enhances the nerve impulse propagation-mediated release of norepinephrine and dopamine. It produces psychostimulant-like effects in animals. In 2025, it was discovered that PPAP is a potent catecholamine reuptake inhibitor, including of dopamine and to a lesser extent of norepinephrine. The drug is a phenethylamine and amphetamine derivative and was derived via structural modification of selegiline.
PPAP was first described in the literature in 1988 and in the first major paper in 1992. It led to the development of the improved monoaminergic activity enhancer (MAE) benzofuranylpropylaminopentane (BPAP) in 1999. PPAP was a reference compound for studying the MAE system for many years. However, it was superseded by BPAP, which is more potent, selective, and also enhances serotonin. There has been interest in PPAP for potential clinical use in humans, including in the treatment of depression, attention deficit hyperactivity disorder (ADHD), and Alzheimer's disease. It is a controlled substance in Sweden as of 2020.
Compound: Pipequaline
SMILES: n1c(-c2ccccc2)cc(CCC3CCNCC3)c4c1cccc4
InChIKey: AMEWZCMTSIONOX-UHFFFAOYSA-N
Synonyms: Pipequaline, 77472-98-1, PK-8165, 2-Phenyl-4-[2-(4-Piperidinyl)Ethyl]Quinoline, Pipequalinum, 2-Phenyl-4-(2-(piperidin-4-yl)ethyl)quinoline, pipecualina, 2-phenyl-4-[2-(piperidin-4-yl)ethyl]quinoline, J3S205V4I2, DTXSID20228183, Quinoline, 2-phenyl-4-(2-(4-piperidinyl)ethyl)-, 2-phenyl-4-(2-(4-piperidinyl)ethyl)quinoline, Quinoline, 2-phenyl-4-[2-(4-piperidinyl)ethyl]-, RefChem:174384, DTXCID40150674, Pipequaline [INN], 2-phenyl-4-(2-piperidin-4-ylethyl)quinoline, MFCD00866983, 2-Phenyl-4-(2-(4-piperidyl)ethyl)quinoline, Pipequalinum [Latin], Pipequalina [Spanish], Pipequalina, 2-phenyl-4-[2-(4-piperidyl)ethyl]quinoline, 2-phenyl-4-[2-(4-piperidyl)-ethyl]quinoline, 2-PHENYL-4-(2-(4-PIPERIDYL)-ETHYL)QUINOLINE, UNII-J3S205V4I2, Pipequaline?, PIPEQUALINE [MART.], orb401817, SCHEMBL2110227, CHEMBL2105206, AMEWZCMTSIONOX-UHFFFAOYSA-N, GLXC-10506, EX-A1218, AKOS028110703, CS-6386, DB13991, AC-36836, AS-66087, DA-56885, HY-100140, NS00068475, 2-phenyl-4-[2-(4-piperidyl)ethyl] quinoline, A10940, 2-phenyl-4-[2-(4-piperidyl)-ethyl]-quinoline, Q7197283
Theoretical properties:
Physical properties:
Descriptions:
chembl: PIPEQUALINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Pipequaline (INN; development code PK-8165) is an anxiolytic drug that was never marketed. It possesses a novel chemical structure that is not closely related to other drugs of this type. The drug has a similar pharmacological profile to the benzodiazepine family of drugs, but with mainly anxiolytic properties and very little sedative, amnestic or anticonvulsant effects, and so is classified as a nonbenzodiazepine anxiolytic.
Pipequaline acts as a non-selective GABAA receptor partial agonist. While its profile of anxiolytic effects without sedation would appear to have potential medical applications, pipequaline has never been developed for medical use and is currently only used in scientific research.
SMILES: Oc1cc(ccc1)[C@H]2[C@@H](CCCC2)CN(C)C
InChIKey: JIRYWFYYBBRJAN-ZFWWWQNUSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: FAXELADOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
Compound: Dietor
SMILES: OC1(C(N)CC)Cc2ccccc2C1
InChIKey: QTZFSVVIXMRRLW-UHFFFAOYSA-N
Synonyms: Dietor, 1H-Inden-2-ol, 2-(1-aminopropyl)-2,3-dihydro-, RefChem:148102, Indanorex, 16112-96-2, 2-(1-aminopropyl)-1,3-dihydroinden-2-ol, Indanorex [INN], 2-(1-Aminopropyl)-2,3-dihydro-1H-inden-2-ol, 982LOO7DEE, 2-(1-Aminopropyl)-2-indanol, Indanorexum; Dietor; JL 11698, Indanorexum, UNII-982LOO7DEE, Indanorexum [Latin], Indanorexum [INN-Latin], JL 11698, SCHEMBL162653, orb1703360, CHEMBL2105009, DTXSID00864664, AKOS006271733, CS-0066047, J.L. 11698, NS00124814, Indanorex chlorhydrate2-(1-aminopropyl)indan-2-ol, Q6015669
Theoretical properties:
molecular_formula: C12H17NO
molecular_weight: 191.27 g/mol
exact_mass: 191.131014166 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 14
topological_polar_surface_area: 46.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: INDANOREX is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Indanorex, sold under the brand name Dietor, is a stimulant drug which was developed in the 1970s. It has appetite suppressant effects and also has antihypoglycemia effects. A chemical synthesis has been reported.
Compound: Methoxyphedrine
SMILES: O=C(c1ccc(OC)cc1)C(NC)C
InChIKey: MQUIHBQDYYAEMH-UHFFFAOYSA-N
Synonyms: Methoxyphedrine, 530-54-1, Methedrone, 4-Methoxymethcathinone, Methoxyphedrinum, metoxifedrina, J6.703B, L7HY239I58, DTXSID20862127, RefChem:157094, DTXCID70810936, 684-468-7, 1-(4-methoxyphenyl)-2-(methylamino)propan-1-one, 1-p-Methoxyphenyl-2-methylaminopropan-1-one, Methoxifedrina, beta-keto-PMMA, bk-PMMA, PMMC, para-Methoxymethcathinone, Methoxyphedrine [INN:DCF], Methoxyphedrin, UNII-L7HY239I58, 4'-Methoxy-2-methylaminopropiophenone, (RS)-4'-Methoxy-2-methylaminopropiophenone, METHOXYPHEDRINE [INN], SCHEMBL729034, CHEMBL2106893, METHOXYPHEDRINE [WHO-DD], MQUIHBQDYYAEMH-UHFFFAOYSA-N, AKOS006274254, NS00015452, Q2506962
Theoretical properties:
molecular_formula: C11H15NO2
molecular_weight: 193.24 g/mol
exact_mass: 193.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 14
topological_polar_surface_area: 38.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: METHOXYPHEDRINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Methedrone (para-methoxymethcathinone, 4-methoxymethcathinone, bk-PMMA, PMMC, methoxyphedrine, 4-MeOMC) is a recreational drug of the cathinone chemical class. Chemically, methedrone is closely related to para-methoxymethamphetamine (PMMA), methylone and mephedrone. Methedrone received media attention in 2009 after the death of two young Swedish men. In both cases toxicology analysis showed methedrone was the only drug present in both men during the time of their overdose and subsequent deaths.
Compound: Trans-cypenamine
SMILES: N[C@@H]1[C@@H](c2ccccc2)CCC1
InChIKey: VNGYTYNUZHDMPP-MNOVXSKESA-N
Synonyms: Trans-cypenamine, Cyclopentylamine, 2-phenyl-, trans-, Cypenamine, (E)-, NJ2BR5O8U5, Cyclopentanamine, 2-phenyl-, trans-, UNII-NJ2BR5O8U5, Cyclopentanamine, 2-phenyl-, (1R,2S)-rel-, RefChem:200312, (+-)-TRANS-2-PHENYLCYCLOPENTANAMINE, (+-)-TRANS-2-PHENYLCYCLOPENTYLAMINE, 6604-06-4, (+/-)-trans-2-Phenylcyclopentanamine, (+/-)-trans-2-Phenylcyclopentylamine, (1S,2R)-2-Phenylcyclopentanamine, 676464-29-2, (1S,2R)-2-phenylcyclopentan-1-amine, (E)-cypenamine, SCHEMBL13813781, (1S,2S);-2-Phenylcyclopentanamine, Q27284888
Theoretical properties:
molecular_formula: C11H15N
molecular_weight: 161.24 g/mol
exact_mass: 161.120449483 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 26 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Cypenamine (INN, BAN), or cypenamine hydrochloride (USAN), also known as 2-phenylcyclopentylamine, is a psychostimulant drug which was developed by a group at the William S. Merrell Chemical Company in the 1940s. It is currently known only in scientific research and has never been developed for market use. Cypenamine is currently legal throughout the entire world, and though its chemical structure has a vague similarity to certain controlled stimulants like fencamfamine, it is likely that it is too distant for it to be considered an illicit analogue under the United States Federal Analogue Act of the Controlled Substances Act.