4-(4-methylphenyl)-6-phenylpyridin-2-amine

• ChemBase ID: 233680
• Molecular Formular: C18H16N2
• Molecular Mass: 260.33304
• Monoisotopic Mass: 260.13134852
• SMILES: n1c(cc(cc1N)c1ccc(cc1)C)c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)c1cc(N)nc(c1)c1ccccc1
• InChI: InChI=1S/C18H16N2/c1-13-7-9-14(10-8-13)16-11-17(20-18(19)12-16)15-5-3-2-4-6-15/h2-12H,1H3,(H2,19,20)
• InChIKey: UIAVCXVKCYWZQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylphenyl)-6-phenylpyridin-2-amine
• IUPAC Traditional name: 4-(4-methylphenyl)-6-phenylpyridin-2-amine
• Synonyms: 4-(4-methylphenyl)-6-phenylpyridin-2-amine

Database IDs

• MDL Number: MFCD05262970
• PubChem SID: 164289590
• PubChem CID: 2113077

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8851128
• LogD (pH = 7.4): 4.6824555
• Log P: 4.7148275
• Molar Refractivity: 83.8566 cm^3
• Polarizability: 34.503513 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 4.803

Product Information

• Purity: 95%