3,6-dimethylquinolin-2-amine

• ChemBase ID: 816067
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1cc2c(cc1C)cc(c(n2)N)C
• Canonical SMILES: Cc1ccc2c(c1)cc(c(n2)N)C
• InChI: InChI=1S/C11H12N2/c1-7-3-4-10-9(5-7)6-8(2)11(12)13-10/h3-6H,1-2H3,(H2,12,13)
• InChIKey: HRQOXEGXIVUULZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dimethylquinolin-2-amine
• IUPAC Traditional name: 3,6-dimethylquinolin-2-amine
• Synonyms: 2-AMINO-3,6-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 137110-39-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7992315
• LogD (pH = 7.4): 2.8485081
• Log P: 2.9232748
• Molar Refractivity: 55.0756 cm^3
• Polarizability: 21.685762 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%