Compound: 1-Phenylethanamine
SMILES: NC(c1ccccc1)C
InChIKey: RQEUFEKYXDPUSK-UHFFFAOYSA-N
Synonyms: 1-Phenylethanamine, 1-Phenylethylamine, ALPHA-METHYLBENZYLAMINE, alpha-Phenylethylamine, 1-Phenethylamine, alpha-Aminoethylbenzene, 1-Amino-1-phenylethane, alpha-Phenethylamine, alpha-Methylbenzenemethanamine, 98-84-0, Sumine 2079, Ethanamine, 1-phenyl-, Ethylamine, 1-phenyl-, (1-Aminoethyl)benzene, Benzene, (1-amino-ethyl)-, HZ9DM6B2MT, Benzylamine, alpha-methyl-, Benzenemethanamine, alpha-methyl-, Benzenemethaneamine, alpha-methyl-, NSC-8391, CHEBI:670, DTXSID40862301, RefChem:555866, DTXCID20198913, 202-706-6, 210-545-8, 618-36-0, DL-alpha-Methylbenzylamine, 1-phenylethan-1-amine, DL-1-Phenylethylamine, a-methylbenzylamine, 1-Fenylethylamin, a-phenylethylamine, Benzenemethanamine, .alpha.-methyl-, (+/-)-1-Phenylethylamine, DL-a-methylbenzyla, MFCD00008069, Benzylamine, .alpha.-methyl-, 1-Phenyl-ethylamine, dl-a-methylbenzylamine, .alpha.-Phenethylamine, .alpha.-Phenylethylamine, a-methylbenzenemethanamine, .alpha.-Methylbenzylamine, CHEMBL278059, Benzenemethaneamine, .alpha.-methyl-, (S)-.alpha.-Methylbenzenemethanamine, Benzenemethanamine, .alpha.-methyl-, (S)-, benzene, (1-aminoethyl)-, (1-phenylethyl)amine, (S)-alpha-methyl benzylamine, UNII-HZ9DM6B2MT, 1-Fenylethylamin [Czech], (S)-(-)-a-methyl-benzylamine, Benzenemethanamine, a-methyl-, a-phenethylamine, (S)-(-)-.alpha.-Methylbenzylamine, Benzenemethanamine, a-methyl-; 1-Phenylethanamine; a-Phenylethylamine, HSDB 2742, l-phenylethylamine, a-aminoethylbenzene, NSC 8391, 1-phenylethyl amine, EINECS 202-706-6, EINECS 210-545-8, phenylethan-1-amine, 1-Phenyl ethylamine, DL-1-phenethylamine, alpha-methylbezylamine, 1-phenyl-ethyl-amine, 1-Phenylethanamine #, rac-1-phenylethanamine, dl-1-phenylethyl amine, 1-Phenyl-1-ethanamine, alpha-methyl benzylamine, alpha-methyl-benzylamine, alpha-methylbenzyl amine, (rs)-1-phenylethylamine, 1(r,s)-phenylethylamine, AI3-03116, (+)-1-phenylethylamine, (-)-1-phenylethylamine, alpha-methyl benzyl amine, DL-alfa-Methylbenzylamine, (-)alpha-phenylethylamine, racemic 1-phenylethanamine, racemic 1-phenylethylamine, SCHEMBL830, (-)-alpha-phenylethylamine, EC 210-545-8, (+) alpha-methylbenzylamine, (+)-alpha-methylbenzylamine, (+)1-phenylethan-1-amine, (+/-)-1-phenylethanamine, (-)-alpha-methylbenzylamine, (RS)-alpha-methylbenzylamine, SCHEMBL42208, (-)-.alpha.-Phenethylamine, (+)-alpha-methyl-benzylamine, (-) alpha-methyl-benzylamine, (-)-alpha-methyl-benzylamine, WLN: 1M1R, (+/-)-1-phenyl-ethanamine, (+/-)-1-Phenyl-ethylamine, alpha-Methylbenzylamine, 99%, racemic alpha-methylbenzylamine, SCHEMBL159964, (+)-alpha-methyl benzyl amine, (+/-)-1-(phenyl)ethylamine, (+/-)-alpha-Methylbenzylamine, (-) alpha methyl benzyl amine, orb2802437, orb3030415, SCHEMBL1043886, SCHEMBL1382152, SCHEMBL3602233, SCHEMBL3834885, SCHEMBL4701869, SCHEMBL7837473, 1-PHENETHYLAMINE [HSDB], .ALPHA.-AMINOETHYLBENZENE, L(-)-.alpha.-Methylbenzylamine, L-(-)-.alpha.-Phenylethylamine, NSC8391, (+/-)- alpha -Methylbenzylamine, (-)-alpha-methylbenzenemethanamine, Fr13902, ALBB-032928, DL-.ALPHA.-METHYLBENZYLAMINE, (R)-.alpha.-Methylbenzenemethanamine, BDBM50023171, EBC-14353, MSK162202, SBB040514, STK397443, AKOS000119070, AKOS016039387, racemic alpha-methyl-benzenemethanamine, (RS)-.ALPHA.-METHYLBENZYLAMINE, .ALPHA.-METHYLBENZENEMETHANAMINE, .ALPHA.-METHYLBENZYLAMINE [MI], CS-W013564, FP11135, PS-4601, (+/-)-.ALPHA.-PHENETHYLAMINE, (+/-)-.ALPHA.-PHENYLETHYLAMINE, (R,S)-.ALPHA. METHYLBENZYLAMINE, AS-80972, PD124031, Benzenemethanamine, .alpha.-methyl-, (R)-, BENZYLAMINE, .ALPHA.-METHYL-, DL-, DB-015888, DB-054000, Benzylamine, .alpha.-methyl-, (.+/-.)-, M0165, NS00001808, ST45255353, EN300-17925, C02455, D77753, DL-|A-Methylbenzylamine DL-|A-Phenylethylamine, ( inverted exclamation mark_)-1-Phenylethylamine, Benzenemethanamine, .alpha.-methyl-, (.+/-.)-, F208695, Q3560549, Z57102377, F0798-0597, D-alpha-Phenylethylamine; R-(+)-alpha-Methylbenzylamine; D(+)-alpha-Methylbenzylamine; (+)-PEA; (R)-(+)-1-Phenylethylamine
Theoretical properties:
molecular_formula: C8H11N
molecular_weight: 121.18 g/mol
exact_mass: 121.089149355 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 26 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WATER-WHITE LIQ
color: WATER-WHITE LIQ
odor: MILD AMMONIACAL ODOR
boiling_point: 188.5 °C
melting_point: -65 °C
density: 0.9535 @ 20 °C/20 °C
solubility: SOL IN MOST ORG SOLVENTS & HYDROCARBONS
flash_point: 79.4 °C
vapor_pressure: 0.5 [mmHg]
Descriptions:
{"pubchem": "1-phenylethylamine is a phenylethylamine that is ethylamine substituted by a phenyl group at position 1. It has a role as a human metabolite.", "chebi": "A phenylethylamine that is ethylamine substituted by a phenyl group at position 1.", "chembl": "Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Phenethylamine (PEA) is an organic compound, natural monoamine alkaloid, and trace amine, which acts as a central nervous system stimulant in humans. In the brain, phenethylamine regulates monoamine neurotransmission by binding to trace amine-associated receptor 1 (TAAR1) and inhibiting vesicular monoamine transporter 2 (VMAT2) in monoamine neurons. To a lesser extent, it also acts as a neurotransmitter in the human central nervous system. In mammals, phenethylamine is produced from the amino acid L-phenylalanine by the enzyme aromatic L-amino acid decarboxylase via enzymatic decarboxylation. In addition to its presence in mammals, phenethylamine is found in many other organisms and foods, such as chocolate, especially after microbial fermentation.\nPhenethylamine is sold as a dietary supplement for purported mood and weight loss-related therapeutic benefits; however, in orally ingested phenethylamine, a significant amount is metabolized in the small intestine by monoamine oxidase B (MAO-B) and then aldehyde dehydrogenase (ALDH), which converts it to phenylacetic acid. This means that for significant concentrations to reach the brain, the dosage must be higher than for other methods of administration. Some authors have postulated that phenethylamine plays a role in affection without substantiating these claims with any direct evidence.\nPhenethylamines, or more properly, substituted phenethylamines, are the group of phenethylamine derivatives that contain phenethylamine as a \"backbone\"; in other words, this chemical class includes derivative compounds that are formed by replacing one or more hydrogen atoms in the phenethylamine core structure with substituents. The class of substituted phenethylamines includes all substituted amphetamines, and substituted methylenedioxyphenethylamines (MDxx), and contains many drugs which act as empathogens, stimulants, psychedelics, anorectics, bronchodilators, decongestants, and/or antidepressants, among others."}