3-ethyl-7-methoxyquinolin-2-amine

• ChemBase ID: 816079
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: c1(cc2c(cc1)cc(c(n2)N)CC)OC
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CC)N
• InChI: InChI=1S/C12H14N2O/c1-3-8-6-9-4-5-10(15-2)7-11(9)14-12(8)13/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: HMLDOJOQQLZVEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-7-methoxyquinolin-2-amine
• IUPAC Traditional name: 3-ethyl-7-methoxyquinolin-2-amine
• Synonyms: 2-AMINO-3-ETHYL-7-METHOXYQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4372973
• LogD (pH = 7.4): 2.5874202
• Log P: 2.6967509
• Molar Refractivity: 61.0986 cm^3
• Polarizability: 24.230963 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%