methyl[1-(4-phenylphenyl)ethyl]amine

• ChemBase ID: 284221
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: c1(ccc(cc1)C(NC)C)c1ccccc1
• Canonical SMILES: CNC(c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C15H17N/c1-12(16-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12,16H,1-2H3
• InChIKey: WZNAJVBGLOFZLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(4-phenylphenyl)ethyl]amine
• IUPAC Traditional name: methyl[1-(4-phenylphenyl)ethyl]amine
• Synonyms: methyl[1-(4-phenylphenyl)ethyl]amine

Database IDs

• MDL Number: MFCD09046487
• PubChem SID: 180669752
• PubChem CID: 16774112

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.39712355
• LogD (pH = 7.4): 1.3255267
• Log P: 3.595395
• Molar Refractivity: 68.861 cm^3
• Polarizability: 28.552988 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.707

Product Information

• Purity: 95%