bis[(4-methoxyphenyl)methyl]amine hydrochloride

• ChemBase ID: 270026
• Molecular Formular: C16H20ClNO2
• Molecular Mass: 293.7885
• Monoisotopic Mass: 293.11825657
• SMILES: N(Cc1ccc(cc1)OC)Cc1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)CNCc1ccc(cc1)OC.Cl
• InChI: InChI=1S/C16H19NO2.ClH/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;1H
• InChIKey: BZIDDCTZNYMKMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(4-methoxyphenyl)methyl]amine hydrochloride
• IUPAC Traditional name: bis[(4-methoxyphenyl)methyl]amine hydrochloride
• Synonyms: bis[(4-methoxyphenyl)methyl]amine hydrochloride

Database IDs

• MDL Number: MFCD07170733
• PubChem SID: 164325936
• PubChem CID: 17332682

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

Physical Property

• Hydrophobicity(logP): 2.506

Product Information

• Purity: 95%