[(2-methoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 310986
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: c1(c(OC)cccc1)CNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCc1ccccc1OC
• InChI: InChI=1S/C16H19NO2/c1-18-15-9-7-13(8-10-15)11-17-12-14-5-3-4-6-16(14)19-2/h3-10,17H,11-12H2,1-2H3
• InChIKey: ILIQUOYLOUMAEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 355382-27-3
• MDL Number: MFCD01135520

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17207645
• LogD (pH = 7.4): 1.8601792
• Log P: 2.9407253
• Molar Refractivity: 76.845 cm^3
• Polarizability: 30.182281 Å^3
• Polar Surface Area: 30.49 Å^2