4-methyl-5-phenylpyridin-2-amine

• ChemBase ID: 814583
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: n1c(cc(c(c1)c1ccccc1)C)N
• Canonical SMILES: Nc1ncc(c(c1)C)c1ccccc1
• InChI: InChI=1S/C12H12N2/c1-9-7-12(13)14-8-11(9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14)
• InChIKey: PIXDYAGUVDENDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-5-phenylpyridin-2-amine
• IUPAC Traditional name: 4-methyl-5-phenylpyridin-2-amine
• Synonyms: 4-methyl-5-phenylpyridin-2-amine

Database IDs

• CAS Number: 84596-21-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3928014
• LogD (pH = 7.4): 2.479408
• Log P: 2.6817517
• Molar Refractivity: 59.0924 cm^3
• Polarizability: 23.382395 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%