chempirical

5-Iodo-2-methylaniline

C7H8INCAS 83863-33-6233.05 g/mol

Open in Covalent MOL file
IH2N
Aryl halidePrimary amine

Properties

Molecular formula
C7H8IN
Molar mass
233.05 g/mol
Exact mass
232.9701 Da
logP
2.18Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
83863-33-6
SMILES
Cc1ccc(I)cc1N
InChIKey
IOEHXNCBPIBDBZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

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

Names and synonyms

4 names
  • Benzenamine, 5-iodo-2-methyl-
  • 5-Iodo-2-methylbenzenamine
  • 3-Iodo-6-methylaniline
  • 5-Iodo-2-methyl-phenylamine

Work with 5-Iodo-2-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

1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 2,5-Xylidine95-78-358 % similar 3-Amino-4-methylphenol2836-00-254 % similar 5-Fluoro-2-methylaniline367-29-354 % similar 5-Bromo-2-methylbenzenamine39478-78-954 % similar 5-Chloro-2-methylaniline95-79-454 % similar 2,5-Dimethyl-P-phenylenediamine6393-01-752 % similar 2,4-Diiodobenzenamine533-70-052 % 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 3-Iodo-4-methylbenzenamine35944-64-0 4-Iodobenzylamine39959-59-6 3-Iodobenzylamine696-40-2

Elsewhere

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