N-[(4-iodophenyl)methyl]-N-methylaniline

• ChemBase ID: 88015
• Molecular Formular: C14H14IN
• Molecular Mass: 323.17213
• Monoisotopic Mass: 323.01709745
• SMILES: N(c1ccccc1)(Cc1ccc(cc1)I)C
• Canonical SMILES: Ic1ccc(cc1)CN(c1ccccc1)C
• InChI: InChI=1S/C14H14IN/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3
• InChIKey: VHJFOMHXRYUZPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-iodophenyl)methyl]-N-methylaniline
• IUPAC Traditional name: N-[(4-iodophenyl)methyl]-N-methylaniline
• Synonyms: N-(4-Iodobenzyl)-N-methyl-N-phenylamine

Database IDs

• MDL Number: MFCD06797858
• PubChem SID: 162075055
• PubChem CID: 17750324

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.726779
• LogD (pH = 7.4): 4.7346067
• Log P: 4.7347074
• Molar Refractivity: 78.4617 cm^3
• Polarizability: 29.701399 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true