5-chloro-2,8-dimethylquinolin-4-amine

• ChemBase ID: 805177
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: c1c(c2c(c(c1)Cl)c(cc(n2)C)N)C
• Canonical SMILES: Cc1cc(N)c2c(n1)c(C)ccc2Cl
• InChI: InChI=1S/C11H11ClN2/c1-6-3-4-8(12)10-9(13)5-7(2)14-11(6)10/h3-5H,1-2H3,(H2,13,14)
• InChIKey: IMSZFAGLTGEEJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,8-dimethylquinolin-4-amine
• IUPAC Traditional name: 5-chloro-2,8-dimethylquinolin-4-amine
• Synonyms: 4-AMINO-5-CHLORO-2,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948292-79-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7916999
• LogD (pH = 7.4): 1.7062286
• Log P: 2.5508108
• Molar Refractivity: 59.1172 cm^3
• Polarizability: 23.486048 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%