Compound: 4-(2-Aminoethyl)-2-methoxyphenol
SMILES: O(c1c(O)ccc(c1)CCN)C
InChIKey: DIVQKHQLANKJQO-UHFFFAOYSA-N
Synonyms: 4-(2-Aminoethyl)-2-methoxyphenol, 554-52-9, 3-Methoxytyramine, 4-(2-Amino-ethyl)-2-methoxy-phenol, 3-O-methyldopamine, Methoxytyramine, 3-Methoxy-4-hydroxyphenethylamine, Phenol, 4-(2-aminoethyl)-2-methoxy-, JCH2767EDP, HOMOVANILLINAMINE, HOMOVANILLYLAMINE, DTXSID40862189, 4-hydroxy-3-methoxyphenylethylamine, 3-METHOXY-P-TYRAMINE, CHEBI:1582, 2-(4-hydroxy-3-methoxyphenyl)ethylamine, 2-METHOXY-4-(2-AMINOETHYL)PHENOL, 4-HYDROXY-3-METHOXY-2-PHENETHYLAMINE, RefChem:503313, DTXCID60200701, 4-HYDROXY-3-METHOXY-BETA-PHENETHYLAMINE, 611-267-3, Dopamine EP Impurity B, MFCD00060621, 3-Methoxy-4-hydroxyphenylethyl amine, 4-(2-aminoethyl)-2-methoxy-Phenol, Tyramine, 3-methoxy-, 4-hydroxy-3-methoxyphenethylamine, 5-(2-aminoethyl)guaiacol, 3-MT, 4-(2-Amino-ethyl)-2-methoxy-phenol CONTROLLED DRUG CLASS A SCHEDULE 1, 4-?(2-?Aminoethyl)?-?2-?methoxyphenol, UNII-JCH2767EDP, Lopac-M-4251, bmse000929, bmse000958, EC 611-267-3, Lopac0_000796, SCHEMBL68386, 3-Methoxytyramine (Standard), GTPL6642, MT-3, orb1685401, SCHEMBL4703184, SCHEMBL4759028, CHEMBL1160785, SCHEMBL29365033, BDBM85380, MSK1380, cid_11957621, MSK1380-100AM, HY-103638AR, EBC-44415, MSK1380-100M, SBB003882, 4-(2-Aminoethyl)-2-methoxyphenol #, AKOS000161280, AC-6711, CCG-204880, FS-6018, GUAIACOL, 4-(2-AMINOETHYL)-, HY-103638A, NCGC00015674-01, NCGC00015674-02, NCGC00015674-03, NCGC00162257-01, NCGC00162257-02, DOPAMINE IMPURITY B [EP IMPURITY], PD046228, SY045999, 2-(4-hydroxy-3-methoxyphenyl)-ethylamine, CAS_1477-68-5, 2-(4-hydroxy-3-methoxy-phenyl)-ethylamine, DB-031871, HYDROXY-3-METHOXYPHENETHYLAMINE, 4-, CS-0028515, NS00015358, ST50308633, EN300-66666, C05587, 3-Methoxytyramine Solution in Methanol, 100ug/mL, 4-HYDROXY-3-METHOXY-.BETA.-PHENETHYLAMINE, F036825, L000765, A1-42513, Q4634167, DOPAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY], 0F899116-F44F-422B-B36A-7F12600FCCBD, 3-Methoxytyramine Solution in Acetonitrile/Methanol, 100ug/mL
Theoretical properties:
molecular_formula: C9H13NO2
molecular_weight: 167.20 g/mol
exact_mass: 167.094628657 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 55.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-methoxytyramine is a monomethoxybenzene that is dopamine in which the hydroxy group at position 3 is replaced by a methoxy group. It is a metabolite of the neurotransmitter dopamine and considered a potential biomarker of pheochromocytomas and paragangliomas. It has a role as a biomarker, a human urinary metabolite and a human blood serum metabolite. It is a monomethoxybenzene, a member of phenols, a phenylethylamine and a primary amino compound. It is functionally related to a dopamine. It is a conjugate base of a 3-methoxytyraminium.
chebi: A monomethoxybenzene that is dopamine in which the hydroxy group at position 3 is replaced by a methoxy group. It is a metabolite of the neurotransmitter dopamine and considered a potential biomarker of pheochromocytomas and paragangliomas.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-OH-2C-B, also known as 2-O-desmethyl-2C-B (2-DM-2C-B) or as 4-bromo-2-hydroxy-5-methoxyphenethylamine (B-2-HMPEA), is a serotonin receptor modulator of the phenethylamine family related to the 2C psychedelic 2C-B (2,5-dimethoxy-4-bromophenethylamine). It is the 2-O-demethylated analogue of 2C-B. The drug is a potent agonist of the serotonin 5-HT2A receptor, with an affinity (Ki) of 0.92 nM, an EC50Tooltip half-maximal effective concentration of 4.3 nM, and an EmaxTooltip maximal efficacy of 93%. For comparison, 2C-B had an affinity (Ki) of 0.64 nM, an EC50 of 3.3 nM, and an Emax of 76%. 2-OH-2C-B is a known metabolite of 2C-B in rodents and humans. The predicted log P of 2-OH-2C-B is 1.5 and of 2C-B is 2.1. The drug was first described in the scientific literature by 2003 and its pharmacology was described by 2013.