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

• ChemBase ID: 28817
• Molecular Formular: C15H16ClNO
• Molecular Mass: 261.74664
• Monoisotopic Mass: 261.09204182
• SMILES: N(Cc1ccc(cc1)OC)Cc1ccc(Cl)cc1
• Canonical SMILES: COc1ccc(cc1)CNCc1ccc(cc1)Cl
• InChI: InChI=1S/C15H16ClNO/c1-18-15-8-4-13(5-9-15)11-17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3
• InChIKey: GQNHILDWJKZSCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)methyl][(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [(4-chlorophenyl)methyl][(4-methoxyphenyl)methyl]amine
• Synonyms: N-(4-Chlorobenzyl)(4-methoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD06682690
• PubChem SID: 160992124
• PubChem CID: 3356533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.69396824
• LogD (pH = 7.4): 2.207174
• Log P: 3.7024412
• Molar Refractivity: 75.1866 cm^3
• Polarizability: 29.510345 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false