2,4-dimethylquinolin-6-amine

• ChemBase ID: 248104
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: n1c2c(c(cc1C)C)cc(N)cc2
• Canonical SMILES: Nc1ccc2c(c1)c(C)cc(n2)C
• InChI: InChI=1S/C11H12N2/c1-7-5-8(2)13-11-4-3-9(12)6-10(7)11/h3-6H,12H2,1-2H3
• InChIKey: FIXPRKPDAIMNAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylquinolin-6-amine
• IUPAC Traditional name: 2,4-dimethylquinolin-6-amine
• Synonyms: 2,4-dimethylquinolin-6-amine

Database IDs

• MDL Number: MFCD18253771
• PubChem SID: 164304014
• PubChem CID: 18007661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0584242
• LogD (pH = 7.4): 1.9075824
• Log P: 1.946766
• Molar Refractivity: 54.3124 cm^3
• Polarizability: 21.68639 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.475

Product Information

• Purity: 95%