[(2,4-dimethoxyphenyl)methyl](2-phenylethyl)amine

• ChemBase ID: 310927
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: c1(c(ccc(c1)OC)CNCCc1ccccc1)OC
• Canonical SMILES: COc1cc(OC)ccc1CNCCc1ccccc1
• InChI: InChI=1S/C17H21NO2/c1-19-16-9-8-15(17(12-16)20-2)13-18-11-10-14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3
• InChIKey: LRCRXUUWGQRCHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dimethoxyphenyl)methyl](2-phenylethyl)amine
• IUPAC Traditional name: [(2,4-dimethoxyphenyl)methyl](2-phenylethyl)amine
• Synonyms: (2,4-dimethoxybenzyl)(2-phenylethyl)amine

Database IDs

• CAS Number: 353773-23-6
• MDL Number: MFCD02051607

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11670534
• LogD (pH = 7.4): 1.4365869
• Log P: 3.2293863
• Molar Refractivity: 81.6 cm^3
• Polarizability: 31.951937 Å^3
• Polar Surface Area: 30.49 Å^2