6-ethoxy-2-methylquinolin-4-amine

• ChemBase ID: 805183
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: c1cc2c(cc1OCC)c(cc(n2)C)N
• Canonical SMILES: CCOc1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C12H14N2O/c1-3-15-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: RKLCZJYWQIOYCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-2-methylquinolin-4-amine
• IUPAC Traditional name: 6-ethoxy-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-6-ETHOXY-2-METHYLQUINOLINE

Database IDs

• CAS Number: 66735-27-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.16254683
• LogD (pH = 7.4): 0.3369551
• Log P: 1.6324813
• Molar Refractivity: 60.483 cm^3
• Polarizability: 24.23022 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%