6-ethoxy-3-methylquinolin-2-amine

• ChemBase ID: 805061
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: c1cc2c(cc1OCC)cc(c(n2)N)C
• Canonical SMILES: CCOc1ccc2c(c1)cc(c(n2)N)C
• InChI: InChI=1S/C12H14N2O/c1-3-15-10-4-5-11-9(7-10)6-8(2)12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: CFXWMBFOVINAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-3-methylquinolin-2-amine
• IUPAC Traditional name: 6-ethoxy-3-methylquinolin-2-amine
• Synonyms: 2-AMINO-6-ETHOXY-3-METHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5293546
• LogD (pH = 7.4): 2.542871
• Log P: 2.6089902
• Molar Refractivity: 61.2462 cm^3
• Polarizability: 24.231829 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%