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

• ChemBase ID: 306806
• Molecular Formular: C9H10FN3
• Molecular Mass: 179.1942032
• Monoisotopic Mass: 179.08587556
• SMILES: n1c([nH]c2c1ccc(c2)F)CNC
• Canonical SMILES: CNCc1nc2c([nH]1)cc(cc2)F
• InChI: InChI=1S/C9H10FN3/c1-11-5-9-12-7-3-2-6(10)4-8(7)13-9/h2-4,11H,5H2,1H3,(H,12,13)
• InChIKey: FZASFRJAUREQIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-fluoro-1H-1,3-benzodiazol-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-fluoro-3H-1,3-benzodiazol-2-yl)methyl](methyl)amine
• Synonyms: 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1158297-70-1
• MDL Number: MFCD09701668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5919368
• LogD (pH = 7.4): 0.12995557
• Log P: 1.0337212
• Molar Refractivity: 47.7599 cm^3
• Polarizability: 19.4979 Å^3
• Polar Surface Area: 40.71 Å^2