[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine

• ChemBase ID: 306951
• Molecular Formular: C10H12FN3
• Molecular Mass: 193.2207832
• Monoisotopic Mass: 193.10152562
• SMILES: n1c([nH]c2c1cc(cc2)F)CCNC
• Canonical SMILES: CNCCc1nc2c([nH]1)ccc(c2)F
• InChI: InChI=1S/C10H12FN3/c1-12-5-4-10-13-8-3-2-7(11)6-9(8)14-10/h2-3,6,12H,4-5H2,1H3,(H,13,14)
• InChIKey: MESKRXUBBFGAKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine
• Synonyms: 2-(5-fluoro-1H-benzimidazol-2-yl)-N-methylethanamine

Database IDs

• MDL Number: MFCD20502496

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2617986
• LogD (pH = 7.4): -0.9990065
• Log P: 1.270734
• Molar Refractivity: 52.4593 cm^3
• Polarizability: 21.261372 Å^3
• Polar Surface Area: 40.71 Å^2