8-fluoro-2-methylquinolin-4-amine

• ChemBase ID: 117236
• Molecular Formular: C10H9FN2
• Molecular Mass: 176.1902632
• Monoisotopic Mass: 176.07497652
• SMILES: c12c(c(cc(n1)C)N)cccc2F
• Canonical SMILES: Cc1cc(N)c2c(n1)c(F)ccc2
• InChI: InChI=1S/C10H9FN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
• InChIKey: RHZQTGHNSDPKJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-2-methylquinolin-4-amine
• IUPAC Traditional name: 8-fluoro-2-methylquinolin-4-amine
• Synonyms: 8-Fluoro-2-methylquinolin-4-amine; 8-fluoro-2-methyl-4-quinolinamine

Database IDs

• CAS Number: 288151-34-8
• MDL Number: MFCD09787728
• PubChem SID: 162101963
• PubChem CID: 17039876

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7820716
• LogD (pH = 7.4): 1.5460181
• Log P: 1.5760466
• Molar Refractivity: 49.4876 cm^3
• Polarizability: 19.49206 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.881

Product Information

• Purity: 95+%; 98%