6-fluoro-3-propylquinolin-2-amine

• ChemBase ID: 805067
• Molecular Formular: C12H13FN2
• Molecular Mass: 204.2434232
• Monoisotopic Mass: 204.10627665
• SMILES: c1cc2c(cc1F)cc(c(n2)N)CCC
• Canonical SMILES: CCCc1cc2cc(F)ccc2nc1N
• InChI: InChI=1S/C12H13FN2/c1-2-3-8-6-9-7-10(13)4-5-11(9)15-12(8)14/h4-7H,2-3H2,1H3,(H2,14,15)
• InChIKey: SUSSJKYSKQUPDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-3-propylquinolin-2-amine
• IUPAC Traditional name: 6-fluoro-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-6-FLUORO-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0926375
• LogD (pH = 7.4): 3.4348795
• Log P: 3.4416926
• Molar Refractivity: 59.4528 cm^3
• Polarizability: 23.174974 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%