[2-(3,4-dimethoxyphenyl)ethyl][(3-methylphenyl)methyl]amine

• ChemBase ID: 310892
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: c1(c(ccc(c1)CCNCc1cc(ccc1)C)OC)OC
• Canonical SMILES: COc1cc(CCNCc2cccc(c2)C)ccc1OC
• InChI: InChI=1S/C18H23NO2/c1-14-5-4-6-16(11-14)13-19-10-9-15-7-8-17(20-2)18(12-15)21-3/h4-8,11-12,19H,9-10,13H2,1-3H3
• InChIKey: WNAXZTIJDZFQLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,4-dimethoxyphenyl)ethyl][(3-methylphenyl)methyl]amine
• IUPAC Traditional name: [2-(3,4-dimethoxyphenyl)ethyl][(3-methylphenyl)methyl]amine
• Synonyms: 2-(3,4-dimethoxyphenyl)-N-(3-methylbenzyl)ethanamine

Database IDs

• CAS Number: 353773-69-0
• MDL Number: MFCD02051602

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5326593
• LogD (pH = 7.4): 1.347631
• Log P: 3.7428079
• Molar Refractivity: 86.6412 cm^3
• Polarizability: 33.719185 Å^3
• Polar Surface Area: 30.49 Å^2