2-(5-fluoroquinolin-8-yl)ethan-1-amine

• ChemBase ID: 274020
• Molecular Formular: C11H11FN2
• Molecular Mass: 190.2168432
• Monoisotopic Mass: 190.09062658
• SMILES: c12c(nccc2)c(ccc1F)CCN
• Canonical SMILES: NCCc1ccc(c2c1nccc2)F
• InChI: InChI=1S/C11H11FN2/c12-10-4-3-8(5-6-13)11-9(10)2-1-7-14-11/h1-4,7H,5-6,13H2
• InChIKey: PFWVUFDAHBVZAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoroquinolin-8-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-fluoroquinolin-8-yl)ethanamine
• Synonyms: 2-(5-fluoroquinolin-8-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD18838712
• PubChem SID: 164329930
• PubChem CID: 54593003

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3147476
• LogD (pH = 7.4): -0.51426977
• Log P: 1.688032
• Molar Refractivity: 53.4241 cm^3
• Polarizability: 21.736134 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.526

Product Information

• Purity: 95%