(3,4-dimethylphenyl)(pyridin-3-yl)methanamine

• ChemBase ID: 308562
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1(cc(c(cc1)C)C)C(c1cnccc1)N
• Canonical SMILES: NC(c1ccc(c(c1)C)C)c1cccnc1
• InChI: InChI=1S/C14H16N2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h3-9,14H,15H2,1-2H3
• InChIKey: DINRZSVVJYLCDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dimethylphenyl)(pyridin-3-yl)methanamine
• IUPAC Traditional name: (3,4-dimethylphenyl)(pyridin-3-yl)methanamine
• Synonyms: 1-(3,4-dimethylphenyl)-1-(3-pyridinyl)methanamine

Database IDs

• CAS Number: 1015846-84-0
• MDL Number: MFCD09902268

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.15428993
• LogD (pH = 7.4): 1.286394
• Log P: 2.6924248
• Molar Refractivity: 66.7397 cm^3
• Polarizability: 25.968023 Å^3
• Polar Surface Area: 38.91 Å^2