6,8-dimethyl-3-phenylquinolin-2-amine

• ChemBase ID: 805050
• Molecular Formular: C17H16N2
• Molecular Mass: 248.32234
• Monoisotopic Mass: 248.13134852
• SMILES: c1c(c2c(cc1C)cc(c(n2)N)c1ccccc1)C
• Canonical SMILES: Cc1cc(C)c2c(c1)cc(c(n2)N)c1ccccc1
• InChI: InChI=1S/C17H16N2/c1-11-8-12(2)16-14(9-11)10-15(17(18)19-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19)
• InChIKey: KPPIDZSEKAEYAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethyl-3-phenylquinolin-2-amine
• IUPAC Traditional name: 6,8-dimethyl-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-6,8-DIMETHYL-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0001874
• LogD (pH = 7.4): 4.55531
• Log P: 4.5705004
• Molar Refractivity: 80.2118 cm^3
• Polarizability: 32.795383 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%