6-ethyl-3-phenylquinolin-2-amine

• ChemBase ID: 805064
• Molecular Formular: C17H16N2
• Molecular Mass: 248.32234
• Monoisotopic Mass: 248.13134852
• SMILES: c1cc2c(cc1CC)cc(c(n2)N)c1ccccc1
• Canonical SMILES: CCc1ccc2c(c1)cc(c(n2)N)c1ccccc1
• InChI: InChI=1S/C17H16N2/c1-2-12-8-9-16-14(10-12)11-15(17(18)19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,18,19)
• InChIKey: CPAQAVMFIJQKQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-3-phenylquinolin-2-amine
• IUPAC Traditional name: 6-ethyl-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-6-ETHYL-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• Polarizability: 32.879364 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9600694
• LogD (pH = 7.4): 4.4878144
• Log P: 4.5016475
• Molar Refractivity: 79.7716 cm^3

PROPERTIES

Product Information

• Purity: 98%