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

• ChemBase ID: 311094
• Molecular Formular: C17H21NO3
• Molecular Mass: 287.35354
• Monoisotopic Mass: 287.15214354
• SMILES: c1(c(ccc(c1)CNCc1c(OC)cccc1)OC)OC
• Canonical SMILES: COc1cc(CNCc2ccccc2OC)ccc1OC
• InChI: InChI=1S/C17H21NO3/c1-19-15-7-5-4-6-14(15)12-18-11-13-8-9-16(20-2)17(10-13)21-3/h4-10,18H,11-12H2,1-3H3
• InChIKey: FECSVWAYVHURCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
• Synonyms: (3,4-dimethoxybenzyl)(2-methoxybenzyl)amine

Database IDs

• CAS Number: 418792-50-4
• MDL Number: MFCD02106138

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1067464
• LogD (pH = 7.4): 1.8218857
• Log P: 2.7830539
• Molar Refractivity: 83.3082 cm^3
• Polarizability: 32.68348 Å^3
• Polar Surface Area: 39.72 Å^2