chempirical

2-Iodo-4-methylaniline

C7H8INCAS 29289-13-2233.05 g/mol

Open in Covalent MOL file
NH2I
Aryl halidePrimary amine

Properties

Molecular formula
C7H8IN
Molar mass
233.05 g/mol
Exact mass
232.9701 Da
Melting point
37 °C
Boiling point
116–118 °C (at 0.8 Torr)
logP
2.18Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
29289-13-2
SMILES
Cc1ccc(N)c(I)c1
InChIKey
AJTUKWIQLKKRHE-UHFFFAOYSA-N
InChI
InChI=1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenamine, 2-iodo-4-methyl-
  • p-Toluidine, 2-iodo-
  • 2-Iodo-4-methylbenzenamine
  • 2-Amino-5-methylphenyl iodide

Work with 2-Iodo-4-methylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Xylidine95-68-162 % similar 3,4-Diaminotoluene496-72-060 % similar 2-Iodo-1,4-dimethylbenzene1122-42-558 % similar 2,4-Diiodobenzenamine533-70-056 % similar 2,5-Xylidine95-78-356 % similar 2,4-Dimethylaniline hydrochloride21436-96-455 % similar 2-Chloro-4-methylaniline615-65-654 % similar 1-Iodo-2,4-dimethylbenzene4214-28-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Iodo-2-methylaniline13194-68-8 2-Iodo-5-methylbenzenamine13194-69-9 3-Iodo-4-methylbenzenamine35944-64-0 4-Iodobenzylamine39959-59-6 3-Iodobenzylamine696-40-2 5-Iodo-2-methylaniline83863-33-6

Elsewhere

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