bis[(4-methoxyphenyl)methyl]amine

• ChemBase ID: 13229
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: c1c(ccc(c1)CNCc1ccc(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)CNCc1ccc(cc1)OC
• InChI: InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
• InChIKey: HBKPDEWGANZHJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: bis[(4-methoxyphenyl)methyl]amine
• Synonyms: Bis(4-methoxybenzyl)amine; Bis-(4-methoxybenzyl)-amine; N-(4-methoxybenzyl)-1-(4-methoxyphenyl)methanamine

Database IDs

• CAS Number: 17061-62-0
• MDL Number: MFCD00277836
• PubChem SID: 160976536
• PubChem CID: 714952

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.087652296
• LogD (pH = 7.4): 1.3983314
• Log P: 2.9407253
• Molar Refractivity: 76.845 cm^3
• Polarizability: 30.182034 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%