bis[(2-methoxyphenyl)methyl]amine

• ChemBase ID: 310926
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: c1(c(OC)cccc1)CNCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CNCc1ccccc1OC
• InChI: InChI=1S/C16H19NO2/c1-18-15-9-5-3-7-13(15)11-17-12-14-8-4-6-10-16(14)19-2/h3-10,17H,11-12H2,1-2H3
• InChIKey: PQSLWOQLGHFZNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: bis[(2-methoxyphenyl)methyl]amine
• Synonyms: N-(2-methoxybenzyl)-1-(2-methoxyphenyl)methanamine

Database IDs

• CAS Number: 178903-65-6
• MDL Number: MFCD01654053

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.52579206
• LogD (pH = 7.4): 2.2576642
• Log P: 2.9407253
• Molar Refractivity: 76.845 cm^3
• Polarizability: 30.18253 Å^3
• Polar Surface Area: 30.49 Å^2