N-{[4-(benzyloxy)phenyl]methyl}aniline

• ChemBase ID: 243353
• Molecular Formular: C20H19NO
• Molecular Mass: 289.37096
• Monoisotopic Mass: 289.14666423
• SMILES: N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)NCc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C20H19NO/c1-3-7-18(8-4-1)16-22-20-13-11-17(12-14-20)15-21-19-9-5-2-6-10-19/h1-14,21H,15-16H2
• InChIKey: HDQPAJASLIOZHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(benzyloxy)phenyl]methyl}aniline
• IUPAC Traditional name: N-{[4-(benzyloxy)phenyl]methyl}aniline
• Synonyms: N-[4-(benzyloxy)benzyl]-N-phenylamine

Database IDs

• CAS Number: 39860-75-8
• MDL Number: MFCD04567277
• PubChem SID: 164299263
• PubChem CID: 2462935

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.726087
• LogD (pH = 7.4): 4.737156
• Log P: 4.737299
• Molar Refractivity: 91.9402 cm^3
• Polarizability: 35.086735 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.776

Product Information

• Purity: 95%