[2-(2-methylphenyl)phenyl]methanamine

• ChemBase ID: 19472
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(c2c(CN)cccc2)c(C)cccc1
• Canonical SMILES: NCc1ccccc1c1ccccc1C
• InChI: InChI=1S/C14H15N/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3
• InChIKey: KMKYKXAYRUYGKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methylphenyl)phenyl]methanamine
• IUPAC Traditional name: [2-(2-methylphenyl)phenyl]methanamine
• Synonyms: (2'-Methyl[1,1'-biphenyl]-2-yl)methanamine

Database IDs

• MDL Number: MFCD05980124
• PubChem SID: 160982779
• PubChem CID: 1393037

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2568563
• LogD (pH = 7.4): 1.053409
• Log P: 3.259661
• Molar Refractivity: 64.7088 cm^3
• Polarizability: 26.625149 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false