[(4-iodophenyl)methyl]dimethylamine

• ChemBase ID: 88013
• Molecular Formular: C9H12IN
• Molecular Mass: 261.10275
• Monoisotopic Mass: 261.00144739
• SMILES: N(Cc1ccc(cc1)I)(C)C
• Canonical SMILES: CN(Cc1ccc(cc1)I)C
• InChI: InChI=1S/C9H12IN/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
• InChIKey: OFXGJTFUMSIQPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-iodophenyl)methyl]dimethylamine
• IUPAC Traditional name: [(4-iodophenyl)methyl]dimethylamine
• Synonyms: N,N-Dimethyl-N-(4-iodobenzyl)amine

Database IDs

• MDL Number: MFCD06797856
• PubChem SID: 162075053
• PubChem CID: 17750323

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.2525454
• LogD (pH = 7.4): 1.4178239
• Log P: 2.8435872
• Molar Refractivity: 57.9632 cm^3
• Polarizability: 22.400974 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true