6-methyl-5-phenylpyridin-2-amine

• ChemBase ID: 814506
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: n1c(ccc(c1C)c1ccccc1)N
• Canonical SMILES: Nc1ccc(c(n1)C)c1ccccc1
• InChI: InChI=1S/C12H12N2/c1-9-11(7-8-12(13)14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14)
• InChIKey: PKUDWIKJMVKOFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-phenylpyridin-2-amine
• IUPAC Traditional name: 6-methyl-5-phenylpyridin-2-amine
• Synonyms: 6-methyl-5-phenylpyridin-2-amine

Database IDs

• CAS Number: 84596-30-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8001589
• LogD (pH = 7.4): 2.1006348
• Log P: 2.2997005
• Molar Refractivity: 58.6427 cm^3
• Polarizability: 23.3839 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%