[(3,5-dimethoxyphenyl)methyl](2-phenylethyl)amine

• ChemBase ID: 310896
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: c1c(cc(cc1OC)CNCCc1ccccc1)OC
• Canonical SMILES: COc1cc(CNCCc2ccccc2)cc(c1)OC
• InChI: InChI=1S/C17H21NO2/c1-19-16-10-15(11-17(12-16)20-2)13-18-9-8-14-6-4-3-5-7-14/h3-7,10-12,18H,8-9,13H2,1-2H3
• InChIKey: RTLCALKKZPGKNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dimethoxyphenyl)methyl](2-phenylethyl)amine
• IUPAC Traditional name: [(3,5-dimethoxyphenyl)methyl](2-phenylethyl)amine
• Synonyms: (3,5-dimethoxybenzyl)(2-phenylethyl)amine

Database IDs

• CAS Number: 345221-52-5
• MDL Number: MFCD01135266

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.04815311
• LogD (pH = 7.4): 1.0963991
• Log P: 3.2293863
• Molar Refractivity: 81.6 cm^3
• Polarizability: 31.951754 Å^3
• Polar Surface Area: 30.49 Å^2