6-fluoro-2-methylquinolin-4-amine

• ChemBase ID: 99521
• Molecular Formular: C10H9FN2
• Molecular Mass: 176.1902632
• Monoisotopic Mass: 176.07497652
• SMILES: n1c(cc(c2cc(ccc12)F)N)C
• Canonical SMILES: Fc1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C10H9FN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
• InChIKey: PTJKTKQKAHCGDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-methylquinolin-4-amine
• IUPAC Traditional name: 6-fluoro-2-methylquinolin-4-amine
• Synonyms: 6-Fluoro-2-methylquinolin-4-amine; 4-Amino-6-fluoro-2-methylquinoline; 6-Fluoro-2-methylquinolin-4-amine

Database IDs

• CAS Number: 288151-49-5
• MDL Number: MFCD06254679
• PubChem SID: 162085784
• PubChem CID: 4738501

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.14546546
• LogD (pH = 7.4): 0.9354863
• Log P: 1.5760466
• Molar Refractivity: 49.4876 cm^3
• Polarizability: 19.485708 Å^3

PROPERTIES

Physical Property

• Partition Coefficient: 1.92

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 98%