chempirical

3-Iodo-4-methylbenzenamine

C7H8INCAS 35944-64-0233.05 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
40 °C
logP
2.18Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
35944-64-0
SMILES
Cc1ccc(N)cc1I
InChIKey
RRUDMHNAMZFNEK-UHFFFAOYSA-N
InChI
InChI=1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzenamine, 3-iodo-4-methyl-
  • 3-Iodo-p-toluidine
  • 4-Amino-2-iodotoluene
  • 3-Iodo-4-methylaniline
  • 3-Iodo-4-methylphenylamine

Work with 3-Iodo-4-methylbenzenamine

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-Iodo-1,4-dimethylbenzene1122-42-554 % similar 2,2′-Dimethyl-4,4′-diaminobiphenyl84-67-354 % similar 5-Amino-2-methylphenol2835-95-254 % similar 3-Fluoro-4-methylaniline452-77-754 % similar 3-Bromo-4-methylaniline7745-91-754 % similar 3-Chloro-4-methylaniline95-74-954 % similar 3-Iodo-4-methoxybenzenamine74587-12-553 % similar 2,5-Diaminotoluene95-70-552 % 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 2-Iodo-4-methylaniline29289-13-2 4-Iodobenzylamine39959-59-6 3-Iodobenzylamine696-40-2 5-Iodo-2-methylaniline83863-33-6

Elsewhere

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