2-iodo-N,N-dimethylaniline

• ChemBase ID: 240800
• Molecular Formular: C8H10IN
• Molecular Mass: 247.07617
• Monoisotopic Mass: 246.98579733
• SMILES: c1(N(C)C)c(I)cccc1
• Canonical SMILES: CN(c1ccccc1I)C
• InChI: InChI=1S/C8H10IN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
• InChIKey: DDQWSLFKVLTRDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-N,N-dimethylaniline
• IUPAC Traditional name: 2-iodo-N,N-dimethylaniline
• Synonyms: 2-iodo-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD20229908
• PubChem SID: 164296710
• PubChem CID: 3013933

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0101397
• LogD (pH = 7.4): 3.010233
• Log P: 3.010234
• Molar Refractivity: 53.8491 cm^3
• Polarizability: 20.24009 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.601

Product Information

• Purity: 95%