3-ethyl-7-methylquinolin-2-amine

• ChemBase ID: 816078
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1(cc2c(cc1)cc(c(n2)N)CC)C
• Canonical SMILES: CCc1cc2ccc(cc2nc1N)C
• InChI: InChI=1S/C12H14N2/c1-3-9-7-10-5-4-8(2)6-11(10)14-12(9)13/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: CBSNZCXGLQGRMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-7-methylquinolin-2-amine
• IUPAC Traditional name: 3-ethyl-7-methylquinolin-2-amine
• Synonyms: 2-AMINO-3-ETHYL-7-METHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0943193
• LogD (pH = 7.4): 3.254026
• Log P: 3.3678434
• Molar Refractivity: 59.6766 cm^3
• Polarizability: 23.531565 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%