5-chloro-3-ethyl-8-methylquinolin-2-amine

• ChemBase ID: 805043
• Molecular Formular: C12H13ClN2
• Molecular Mass: 220.69802
• Monoisotopic Mass: 220.07672611
• SMILES: c1c(c2c(c(c1)Cl)cc(c(n2)N)CC)C
• Canonical SMILES: CCc1cc2c(Cl)ccc(c2nc1N)C
• InChI: InChI=1S/C12H13ClN2/c1-3-8-6-9-10(13)5-4-7(2)11(9)15-12(8)14/h4-6H,3H2,1-2H3,(H2,14,15)
• InChIKey: PCLCMDPMBURRCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-ethyl-8-methylquinolin-2-amine
• IUPAC Traditional name: 5-chloro-3-ethyl-8-methylquinolin-2-amine
• Synonyms: 2-AMINO-5-CHLORO-3-ETHYL-8-METHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.546112
• LogD (pH = 7.4): 3.9626596
• Log P: 3.971888
• Molar Refractivity: 64.4814 cm^3
• Polarizability: 25.32867 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%