(3-methylphenyl)(pyridin-2-yl)methanamine

• ChemBase ID: 245290
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: c1(C(c2ncccc2)N)cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)C(c1ccccn1)N
• InChI: InChI=1S/C13H14N2/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h2-9,13H,14H2,1H3
• InChIKey: WVFDOYUFYUNJTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylphenyl)(pyridin-2-yl)methanamine
• IUPAC Traditional name: (3-methylphenyl)(pyridin-2-yl)methanamine
• Synonyms: (3-methylphenyl)(pyridin-2-yl)methanamine

Database IDs

• MDL Number: MFCD12153913
• PubChem SID: 164301200
• PubChem CID: 12294455

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.085783795
• LogD (pH = 7.4): 1.5963945
• Log P: 2.4126644
• Molar Refractivity: 61.2514 cm^3
• Polarizability: 24.203335 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.444

Product Information

• Purity: 95%