[(3,5-dimethoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 311050
• Molecular Formular: C17H21NO3
• Molecular Mass: 287.35354
• Monoisotopic Mass: 287.15214354
• SMILES: c1c(cc(cc1OC)CNCc1ccc(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)CNCc1cc(OC)cc(c1)OC
• InChI: InChI=1S/C17H21NO3/c1-19-15-6-4-13(5-7-15)11-18-12-14-8-16(20-2)10-17(9-14)21-3/h4-10,18H,11-12H2,1-3H3
• InChIKey: PUUIMGFMLAOYFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dimethoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [(3,5-dimethoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine
• Synonyms: (3,5-dimethoxybenzyl)(4-methoxybenzyl)amine

Database IDs

• CAS Number: 356093-54-4
• MDL Number: MFCD01654200

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14743485
• LogD (pH = 7.4): 1.447205
• Log P: 2.7830539
• Molar Refractivity: 83.3082 cm^3
• Polarizability: 32.68173 Å^3
• Polar Surface Area: 39.72 Å^2