bis(3-methylphenyl)methanamine

• ChemBase ID: 236150
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: c1(C(c2cc(ccc2)C)N)cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)C(c1cccc(c1)C)N
• InChI: InChI=1S/C15H17N/c1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14/h3-10,15H,16H2,1-2H3
• InChIKey: OUCXXIRHLYHZKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-methylphenyl)methanamine
• IUPAC Traditional name: bis(3-methylphenyl)methanamine
• Synonyms: bis(3-methylphenyl)methanamine

Database IDs

• MDL Number: MFCD12154069
• PubChem SID: 164292060
• PubChem CID: 60818814

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9750933
• LogD (pH = 7.4): 2.1943996
• Log P: 3.9100971
• Molar Refractivity: 68.8966 cm^3
• Polarizability: 26.921015 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.44

Product Information

• Purity: 95%