2-(6-fluoro-1H-indol-1-yl)ethan-1-amine

• ChemBase ID: 120926
• Molecular Formular: C10H11FN2
• Molecular Mass: 178.2061432
• Monoisotopic Mass: 178.09062658
• SMILES: n1(c2c(cc1)ccc(c2)F)CCN
• Canonical SMILES: NCCn1ccc2c1cc(F)cc2
• InChI: InChI=1S/C10H11FN2/c11-9-2-1-8-3-5-13(6-4-12)10(8)7-9/h1-3,5,7H,4,6,12H2
• InChIKey: FWGIPIRCZVJWPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-fluoro-1H-indol-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-fluoroindol-1-yl)ethanamine
• Synonyms: 2-(6-fluoro-1H-indol-1-yl)ethanamine

Database IDs

• PubChem SID: 162215279
• PubChem CID: 39732329

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3622305
• LogD (pH = 7.4): -0.5753625
• Log P: 1.641402
• Molar Refractivity: 50.2074 cm^3
• Polarizability: 20.314426 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true