N-benzyl-4-methylaniline

• ChemBase ID: 243969
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: N(c1ccc(cc1)C)Cc1ccccc1
• Canonical SMILES: Cc1ccc(cc1)NCc1ccccc1
• InChI: InChI=1S/C14H15N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
• InChIKey: KEVOWRWHMCBERP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-methylaniline
• IUPAC Traditional name: benzyl-p-tolyl-amine
• Synonyms: N-benzyl-N-(4-methylphenyl)amine

Database IDs

• CAS Number: 5405-15-2
• MDL Number: MFCD00870620
• PubChem SID: 164299879
• PubChem CID: 79403

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.65413
• LogD (pH = 7.4): 3.6835303
• Log P: 3.6839185
• Molar Refractivity: 65.9056 cm^3
• Polarizability: 24.750038 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.588

Product Information

• Purity: 95%