8-ethyl-3-phenylquinolin-2-amine

• ChemBase ID: 805086
• Molecular Formular: C17H16N2
• Molecular Mass: 248.32234
• Monoisotopic Mass: 248.13134852
• SMILES: c1c(c2c(cc1)cc(c(n2)N)c1ccccc1)CC
• Canonical SMILES: CCc1cccc2c1nc(N)c(c2)c1ccccc1
• InChI: InChI=1S/C17H16N2/c1-2-12-9-6-10-14-11-15(17(18)19-16(12)14)13-7-4-3-5-8-13/h3-11H,2H2,1H3,(H2,18,19)
• InChIKey: AZWORGQSHJMTLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-3-phenylquinolin-2-amine
• IUPAC Traditional name: 8-ethyl-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-8-ETHYL-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.058838
• LogD (pH = 7.4): 4.4918194
• Log P: 4.5016475
• Molar Refractivity: 79.7716 cm^3
• Polarizability: 32.88114 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%