2-methyl-5-phenylpyridin-3-amine

• ChemBase ID: 244301
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: n1c(c(cc(c1)c1ccccc1)N)C
• Canonical SMILES: Cc1ncc(cc1N)c1ccccc1
• InChI: InChI=1S/C12H12N2/c1-9-12(13)7-11(8-14-9)10-5-3-2-4-6-10/h2-8H,13H2,1H3
• InChIKey: VZAGXOBOKSVVJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-phenylpyridin-3-amine
• IUPAC Traditional name: 2-methyl-5-phenylpyridin-3-amine
• Synonyms: 2-methyl-5-phenylpyridin-3-amine

Database IDs

• MDL Number: MFCD18260244
• PubChem SID: 164300211
• PubChem CID: 71757474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1443734
• LogD (pH = 7.4): 1.6895814
• Log P: 1.705243
• Molar Refractivity: 58.3292 cm^3
• Polarizability: 23.3881 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 2.655

Product Information

• Purity: 95%