(2-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanamine

• ChemBase ID: 114852
• Molecular Formular: C11H12FN3
• Molecular Mass: 205.2314832
• Monoisotopic Mass: 205.10152562
• SMILES: c1(C(c2c(F)cccc2)N)n(ccn1)C
• Canonical SMILES: Fc1ccccc1C(c1nccn1C)N
• InChI: InChI=1S/C11H12FN3/c1-15-7-6-14-11(15)10(13)8-4-2-3-5-9(8)12/h2-7,10H,13H2,1H3
• InChIKey: WUDDQHZJUTYQHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanamine
• IUPAC Traditional name: (2-fluorophenyl)(1-methylimidazol-2-yl)methanamine
• Synonyms: [(2-Fluorophenyl)(1-methyl-1H-imidazol-2-yl)methyl]amine; (2-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methylamine

Database IDs

• MDL Number: MFCD07692320
• PubChem SID: 162101134
• PubChem CID: 16226825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.37498644
• LogD (pH = 7.4): 1.1064103
• Log P: 1.356518
• Molar Refractivity: 56.2842 cm^3
• Polarizability: 21.51263 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Partition Coefficient: 1.382
• Hydrophobicity(logP): 0.43

Product Information

• Purity: 95%; 95+%