N'-cyclopropyl-N-(4-fluorophenyl)benzenecarboximidamide

• ChemBase ID: 242403
• Molecular Formular: C16H15FN2
• Molecular Mass: 254.3021032
• Monoisotopic Mass: 254.12192671
• SMILES: C(=N\C1CC1)(/Nc1ccc(F)cc1)\c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)N/C(=N/C1CC1)/c1ccccc1
• InChI: InChI=1S/C16H15FN2/c17-13-6-8-14(9-7-13)18-16(19-15-10-11-15)12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,18,19)
• InChIKey: AEUCJDLLTCWJNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopropyl-N-(4-fluorophenyl)benzenecarboximidamide
• IUPAC Traditional name: N'-cyclopropyl-N-(4-fluorophenyl)benzenecarboximidamide
• Synonyms: N'-cyclopropyl-N-(4-fluorophenyl)benzenecarboximidamide

Database IDs

• MDL Number: MFCD22578490
• PubChem SID: 164298313
• PubChem CID: 8098182

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2458978
• LogD (pH = 7.4): 3.6829355
• Log P: 3.9097347
• Molar Refractivity: 75.9729 cm^3
• Polarizability: 28.058596 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 5.118

Product Information

• Purity: 95%