[3-(3-methylphenyl)phenyl]methanamine

• ChemBase ID: 268440
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(c2cc(CN)ccc2)cc(ccc1)C
• Canonical SMILES: NCc1cccc(c1)c1cccc(c1)C
• InChI: InChI=1S/C14H15N/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-9H,10,15H2,1H3
• InChIKey: AGGZISMRXHKDJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(3-methylphenyl)phenyl]methanamine
• IUPAC Traditional name: [3-(3-methylphenyl)phenyl]methanamine
• Synonyms: [3-(3-methylphenyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD05978949
• PubChem SID: 164324350
• PubChem CID: 1392314

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.27574334
• LogD (pH = 7.4): 1.2454824
• Log P: 3.259661
• Molar Refractivity: 64.7088 cm^3
• Polarizability: 26.624512 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.481

Product Information

• Purity: 95%