3-ethyl-7-fluoroquinolin-2-amine

• ChemBase ID: 805034
• Molecular Formular: C11H11FN2
• Molecular Mass: 190.2168432
• Monoisotopic Mass: 190.09062658
• SMILES: c1(cc2c(cc1)cc(c(n2)N)CC)F
• Canonical SMILES: CCc1cc2ccc(cc2nc1N)F
• InChI: InChI=1S/C11H11FN2/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3,(H2,13,14)
• InChIKey: SHCPQHCXYKNUSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-7-fluoroquinolin-2-amine
• IUPAC Traditional name: 3-ethyl-7-fluoroquinolin-2-amine
• Synonyms: 2-AMINO-3-ETHYL-7-FLUOROQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.433984
• LogD (pH = 7.4): 2.9822812
• Log P: 2.997124
• Molar Refractivity: 54.8518 cm^3
• Polarizability: 21.330658 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%