5,6-dimethyl-4-phenylpyridin-2-amine

• ChemBase ID: 308456
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: c1(c(c(nc(c1)N)C)C)c1ccccc1
• Canonical SMILES: Nc1nc(C)c(c(c1)c1ccccc1)C
• InChI: InChI=1S/C13H14N2/c1-9-10(2)15-13(14)8-12(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,15)
• InChIKey: KHVGBFYREHILTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-4-phenylpyridin-2-amine
• IUPAC Traditional name: 5,6-dimethyl-4-phenylpyridin-2-amine
• Synonyms: 5,6-dimethyl-4-phenyl-2-pyridinamine

Database IDs

• CAS Number: 1123169-34-5
• MDL Number: MFCD12030943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.98516816
• LogD (pH = 7.4): 2.1989684
• Log P: 2.8131218
• Molar Refractivity: 63.6839 cm^3
• Polarizability: 25.149254 Å^3
• Polar Surface Area: 38.91 Å^2