5-chloro-8-methyl-3-propylquinolin-2-amine

• ChemBase ID: 805045
• Molecular Formular: C13H15ClN2
• Molecular Mass: 234.7246
• Monoisotopic Mass: 234.09237617
• SMILES: c1c(c2c(c(c1)Cl)cc(c(n2)N)CCC)C
• Canonical SMILES: CCCc1cc2c(Cl)ccc(c2nc1N)C
• InChI: InChI=1S/C13H15ClN2/c1-3-4-9-7-10-11(14)6-5-8(2)12(10)16-13(9)15/h5-7H,3-4H2,1-2H3,(H2,15,16)
• InChIKey: HZVIKGLPNFEDCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-8-methyl-3-propylquinolin-2-amine
• IUPAC Traditional name: 5-chloro-8-methyl-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-5-CHLORO-8-METHYL-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9957807
• LogD (pH = 7.4): 4.407403
• Log P: 4.4164567
• Molar Refractivity: 69.0824 cm^3
• Polarizability: 27.174295 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%