(4-methylphenyl)(pyridin-4-yl)methanamine

• ChemBase ID: 306697
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: C(c1ccc(cc1)C)(c1ccncc1)N
• Canonical SMILES: Cc1ccc(cc1)C(c1ccncc1)N
• InChI: InChI=1S/C13H14N2/c1-10-2-4-11(5-3-10)13(14)12-6-8-15-9-7-12/h2-9,13H,14H2,1H3
• InChIKey: AYXZNLMVLLGRKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylphenyl)(pyridin-4-yl)methanamine
• IUPAC Traditional name: (4-methylphenyl)(pyridin-4-yl)methanamine
• Synonyms: 1-(4-methylphenyl)-1-pyridin-4-ylmethanamine

Database IDs

• MDL Number: MFCD08445806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.69182265
• LogD (pH = 7.4): 0.7053015
• Log P: 2.1790035
• Molar Refractivity: 61.6985 cm^3
• Polarizability: 24.20213 Å^3
• Polar Surface Area: 38.91 Å^2