7,8-dimethyl-3-phenylquinolin-2-amine

• ChemBase ID: 805073
• Molecular Formular: C17H16N2
• Molecular Mass: 248.32234
• Monoisotopic Mass: 248.13134852
• SMILES: c1(c(c2c(cc1)cc(c(n2)N)c1ccccc1)C)C
• Canonical SMILES: Nc1nc2c(cc1c1ccccc1)ccc(c2C)C
• InChI: InChI=1S/C17H16N2/c1-11-8-9-14-10-15(13-6-4-3-5-7-13)17(18)19-16(14)12(11)2/h3-10H,1-2H3,(H2,18,19)
• InChIKey: XLCUXGLPHWSWGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethyl-3-phenylquinolin-2-amine
• IUPAC Traditional name: 7,8-dimethyl-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-7,8-DIMETHYL-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8220084
• LogD (pH = 7.4): 4.5443635
• Log P: 4.5705004
• Molar Refractivity: 80.2118 cm^3
• Polarizability: 32.794506 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%