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Homoveratrylamine

PubChem CID: 8421

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Compound Synonyms 3,4-Dimethoxyphenethylamine, 120-20-7, Homoveratrylamine, 2-(3,4-Dimethoxyphenyl)ethanamine, 2-(3,4-Dimethoxyphenyl)ethylamine, 3,4-Dimethoxyphenylethylamine, Benzeneethanamine, 3,4-dimethoxy-, Dimethoxyphenylethylamine, Dimethoxydopamine, Dimethylmescaline, DMPEA, Dopamine dimethyl ether, DIMPEA, O,O-Dimethyldopamine, 3,4-Dimethoxybenzeneethanamine, 3,4-Dimethoxydopamine, 3,4-Di-O-methyldopamine, 3,4-Dimethoxy-beta-phenylethylamine, 3,4-Dimethoxyphenylethylamine(base), beta-(3,4-Dimethyoxyphenyl)ethylamine, 2-(3,4-Dimethoxyphenyl)Ethan-1-Amine, 2-(3,4-Dimethoxy-phenyl)-ethylamine, 2-(3,4-dimethoxyphenyl)-ethylamine, NSC 16948, PHENETHYLAMINE, 3,4-DIMETHOXY-, CHEBI:136995, EINECS 204-376-9, IQF9T435OP, 3,4-Dimethoxyphenylethylamine (base), MFCD00008188, 3,4-Dimethoxy-.beta.-phenylethylamine, 3,4-dimethoxy phenylethylamine, BRN 0474393, AI3-23876, HOMOVERATRILAMINE, NSC-6328, NSC-16948, NSC-26152, DOPAMINE IMPURITY C, 3,4-Dimethoxypheneethylamine, 3,4-dimethyloxyphenylethylamine, DTXSID8059506, EC 204-376-9, 4-13-00-02604 (Beilstein Handbook Reference), 2-(3,4-dimethoxyphenyl) ethylamine, 3,4-Dimethoxy-.beta.-phenethylamine, beta-(3,4-Dimethoxyphenyl)ethylamine, .beta.-(3,4-Dimethoxyphenyl)ethylamine, Phenethylamine,4-dimethoxy-, Benzeneethanamine,4-dimethoxy-, WLN: Z2R CO1 DO1, DOPAMINE HYDROCHLORIDE IMPURITY C [EP IMPURITY], 3,4-Dimethoxy phenethylamine, 3,4-Dimethoxyphenethylamine (Homoveratrylamine), SMR000112358, DOPAMINE HYDROCHLORIDE IMPURITY C (EP IMPURITY), UNII-IQF9T435OP, homoveratryl amine, O,ODimethyldopamine, 3,4-DIMETHOXY-PHENETHYLAMINE, 3,4Dimethoxydopamine, 3,4DiOmethyldopamine, 3,4dimethoxyphenethylamine, Epitope ID:119694, 3,4Dimethoxyphenylethylamine, NCIOpen2_005995, Oprea1_397610, 3, 4-Dimethoxyphenethylamine, 3,4Dimethoxybenzeneethanamine, Phenethylamine, 3,4dimethoxy, Dopamine Impurity C (3,4-Dimethoxyphenethylamine), MLS000515889, MLS001424180, CHEMBL26019, SCHEMBL210639, 3,4-di-methoxy-phenethylamine, 3,4-dimethyoxyphenylethylamine, 3,4-dimethoxy-phenylethylamine, 3,4-Dimethoxy-Benzenethanamine, SCHEMBL7319619, 3, 4-Dimethoxybenzeneethanamine, 3,4Dimethoxybetaphenylethylamine, b-3,4-dimethoxyphenylethylamine, Benzeneethanamine, 3,4dimethoxy, 3,4-Dimethoxy-Benzeneethanamine, DTXCID6033530, Phenethyl amine, 3,4-dimethoxy, 2(3,4Dimethoxyphenyl)ethylamine, NSC6328, 2(3,4-dimethoxyphenyl)ethylamine, Benzenethanamine, 3,4-dimethoxy-, 3,4-Dimethoxy-beta-phenethylamine, b-(3,4-dimethoxyphenyl)ethylamine, beta(3,4Dimethoxyphenyl)ethylamine, HMS2052A09, HMS2269O22, HMS3394A09, 3,4-Dimethoxyphenethylamine, 97%, 3, 4-Dimethoxy-beta-phenethylamine, HY-Y0935, MBA69947, NSC16948, NSC26152, 3,4Dimethoxyphenylethylamine (base), b-(3,4-dimethoxyphenyl)ethyl amine, 2-(3,4-dimethoxy-phenyl)ethylamine, 3,4-Dimethoxyphenethylamine, Pract., BBL023006, STK397473, 3, 4-Dimethoxy-beta-phenylethylamine, 3, 4-Dimethoxyphenylethylamine(base), 3,4-dimethoxy-beta-phenyl-ethylamine, [2-(3,4-dimethoxyphenyl)ethyl]amine, 2-(3,4-dimethoxy-phenyl)ethyl amine, 2-(3,4-Dimethoxyphenyl)ethanamine #, AKOS000104026, beta-(3,4-dimethoxyphenyl)-ethylamine, AC-8488, CCG-101095, CS-W023192, FH23862, FS-4041, NC00345, 2-(3',4'-dimethoxyphenyl)-ethylamine, beta-(3,4 -dimethoxyphenyl) ethylamine, NCGC00247022-01, DB-001827, DB-003355, D0678, NS00004795, EN300-20212, Q4634069, 2-(3,4-Dimethoxyphenyl)ethanamine (ACD/Name 4.0), 2-(3,4-Dimethoxyphenyl)ethylamine (ACD/Name 4.0), BRD-K59570838-003-01-9, F2190-0398, Z104477298, 3,4-Dimethoxybenzeneethanamine, 3,4-Dimethoxyphenethylamine, 2-(3,4-Dimethoxyphenyl)-1-aminoethane
Topological Polar Surface Area 44.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 13.0
Isotope Atom Count 0.0
Molecular Complexity 141.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P28565, P21398, Q16853, O70423, B2RXH2, P02791, Q13315, Q92830, P04637, P27695, n.a., P0DTD1
Iupac Name 2-(3,4-dimethoxyphenyl)ethanamine
Prediction Hob 1.0
Class Benzene and substituted derivatives
Target Id NPT48, NPT524
Xlogp 0.8
Superclass Benzenoids
Subclass Methoxybenzenes
Molecular Formula C10H15NO2
Prediction Swissadme 1.0
Inchi Key ANOUKFYBOAKOIR-UHFFFAOYSA-N
Fcsp3 0.4
Logs -0.228
Rotatable Bond Count 4.0
State Solid
Logd 0.601
Synonyms 2-(3,4-Dimethoxy-phenyl)-ethylamine, 3,4-Di-O-methyldopamine, 3,4-Dimethoxy-beta-phenylethylamine, 3,4-Dimethoxybenzeneethanamine, 3,4-Dimethoxydopamine, 3,4-Dimethoxyphenethylamine, beta-(3,4-Dimethyoxyphenyl)ethylamine, Dimethoxydopamine, Dimethoxyphenylethylamine, Dimethylmescaline, DIMPEA, DMPEA, Dopamine dimethyl ether, Homoveratrylamine, O,O-Dimethyldopamine, 3,4-Dimethoxy-b-phenylethylamine, 3,4-Dimethoxy-β-phenylethylamine, b-(3,4-Dimethyoxyphenyl)ethylamine, Β-(3,4-dimethyoxyphenyl)ethylamine, 2-(3,4-Dimethoxyphenyl)ethanamine, 2-(3,4-Dimethoxyphenyl)ethanamine (acd/name 4.0), 2-(3,4-Dimethoxyphenyl)ethylamine, 2-(3,4-Dimethoxyphenyl)ethylamine (acd/name 4.0), 3, 4-Dimethoxy-beta-phenethylamine, 3, 4-Dimethoxy-beta-phenylethylamine, 3, 4-Dimethoxybenzeneethanamine, 3, 4-Dimethoxyphenethylamine, 3, 4-Dimethoxyphenylethylamine(base), 3,4-Dimethoxy-benzeneethanamine, 3,4-Dimethoxy-benzenethanamine, 3,4-Dimethoxy-beta-phenethylamine, 3,4-Dimethoxy-phenethylamine, 3,4-Dimethoxypheneethylamine, 3,4-Dimethoxyphenylethylamine(base), beta-(3,4-Dimethoxyphenyl)ethylamine, DMPE
Compound Name Homoveratrylamine
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 181.11
Formal Charge 0.0
Monoisotopic Mass 181.11
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 181.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Esol -1.5262954615384612
Inchi InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
Smiles COC1=C(C=C(C=C1)CCN)OC
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Dimethoxybenzenes