2-ethyl-4-iodoaniline

• ChemBase ID: 312557
• Molecular Formular: C8H10IN
• Molecular Mass: 247.07617
• Monoisotopic Mass: 246.98579733
• SMILES: c1(c(ccc(c1)I)N)CC
• Canonical SMILES: CCc1cc(I)ccc1N
• InChI: InChI=1S/C8H10IN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3
• InChIKey: PLKZGDYLTZBAEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-iodoaniline
• IUPAC Traditional name: 2-ethyl-4-iodoaniline
• Synonyms: (2-ethyl-4-iodophenyl)amine

Database IDs

• CAS Number: 99471-67-7
• MDL Number: MFCD05794592

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.02434
• LogD (pH = 7.4): 3.0311666
• Log P: 3.0312543
• Molar Refractivity: 53.7631 cm^3
• Polarizability: 20.163464 Å^3
• Polar Surface Area: 26.02 Å^2