[3-fluoro-4-(1H-imidazol-1-yl)phenyl]methanamine

• ChemBase ID: 263703
• Molecular Formular: C10H10FN3
• Molecular Mass: 191.2049032
• Monoisotopic Mass: 191.08587556
• SMILES: n1(c2c(cc(cc2)CN)F)cncc1
• Canonical SMILES: NCc1ccc(c(c1)F)n1cncc1
• InChI: InChI=1S/C10H10FN3/c11-9-5-8(6-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2
• InChIKey: JUTIXVFSGDRBRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-fluoro-4-(1H-imidazol-1-yl)phenyl]methanamine
• IUPAC Traditional name: [3-fluoro-4-(imidazol-1-yl)phenyl]methanamine
• Synonyms: [3-fluoro-4-(1H-imidazol-1-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD09907410
• PubChem SID: 164319613
• PubChem CID: 22693590

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4263155
• LogD (pH = 7.4): -1.5211799
• Log P: 0.5176
• Molar Refractivity: 62.6962 cm^3
• Polarizability: 20.431822 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.188

Product Information

• Purity: 95%