N,N-diethyl-4-[(E)-N-(4-fluorophenyl)carboximidoyl]aniline

• ChemBase ID: 53580
• Molecular Formular: C17H19FN2
• Molecular Mass: 270.3445632
• Monoisotopic Mass: 270.15322684
• SMILES: N(=C\c1ccc(N(CC)CC)cc1)/c1ccc(F)cc1
• Canonical SMILES: CCN(c1ccc(cc1)/C=N/c1ccc(cc1)F)CC
• InChI: InChI=1S/C17H19FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-13H,3-4H2,1-2H3/b19-13+
• InChIKey: FLFSBDVEUBSBRL-CPNJWEJPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-4-[(E)-N-(4-fluorophenyl)carboximidoyl]aniline
• IUPAC Traditional name: N,N-diethyl-4-[(E)-N-(4-fluorophenyl)carboximidoyl]aniline
• Synonyms: N-[4-(Diethylamino)benzylidene]-4-fluoroaniline

Database IDs

• MDL Number: MFCD00125737
• PubChem SID: 162058343
• PubChem CID: 620508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6647778
• LogD (pH = 7.4): 4.809672
• Log P: 4.8118687
• Molar Refractivity: 85.5298 cm^3
• Polarizability: 30.617777 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false