6-ethoxy-3-ethylquinolin-2-amine

• ChemBase ID: 805030
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: c1cc2c(cc1OCC)cc(c(n2)N)CC
• Canonical SMILES: CCOc1ccc2c(c1)cc(c(n2)N)CC
• InChI: InChI=1S/C13H16N2O/c1-3-9-7-10-8-11(16-4-2)5-6-12(10)15-13(9)14/h5-8H,3-4H2,1-2H3,(H2,14,15)
• InChIKey: KLKYNPDFZYLZQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-3-ethylquinolin-2-amine
• IUPAC Traditional name: 6-ethoxy-3-ethylquinolin-2-amine
• Synonyms: 2-AMINO-3-ETHYL-6-ETHOXYQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0067496
• LogD (pH = 7.4): 2.99317
• Log P: 3.0535588
• Molar Refractivity: 65.8472 cm^3
• Polarizability: 26.077888 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%