7-chloro-3,8-dimethylquinolin-2-amine

• ChemBase ID: 805077
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: c1(c(c2c(cc1)cc(c(n2)N)C)C)Cl
• Canonical SMILES: Cc1cc2ccc(c(c2nc1N)C)Cl
• InChI: InChI=1S/C11H11ClN2/c1-6-5-8-3-4-9(12)7(2)10(8)14-11(6)13/h3-5H,1-2H3,(H2,13,14)
• InChIKey: CVYULFVQTYNNPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-3,8-dimethylquinolin-2-amine
• IUPAC Traditional name: 7-chloro-3,8-dimethylquinolin-2-amine
• Synonyms: 2-AMINO-7-CHLORO-3,8-DIMETHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1251068
• LogD (pH = 7.4): 3.5188806
• Log P: 3.5273194
• Molar Refractivity: 59.8804 cm^3
• Polarizability: 23.47943 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%