methyl[(2-phenylphenyl)methyl]amine

• ChemBase ID: 267618
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(c(CNC)cccc1)c1ccccc1
• Canonical SMILES: CNCc1ccccc1c1ccccc1
• InChI: InChI=1S/C14H15N/c1-15-11-13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
• InChIKey: FXXBKXHFEBSUHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-phenylphenyl)methyl]amine
• IUPAC Traditional name: methyl[(2-phenylphenyl)methyl]amine
• Synonyms: methyl[(2-phenylphenyl)methyl]amine; 2-Biphenylyl-N-methylmethylamine; N-Methyl-2-biphenylmethylamine; N-甲基-2-联苯基甲基胺

Database IDs

• CAS Number: 13737-31-0
• MDL Number: MFCD00598943
• PubChem SID: 164323528
• PubChem CID: 19366385

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.0388307
• LogD (pH = 7.4): 0.6828886
• Log P: 3.17882
• Molar Refractivity: 64.4422 cm^3
• Polarizability: 26.710987 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.098

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 99%