2-Iodo-5-methylbenzenamine

C₇H₈INCAS 13194-69-9233.05 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈IN
Molar mass: 233.05 g/mol
Exact mass: 232.9701 Da
Melting point: 37–39 °C
logP: 2.18Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

13194-69-9

SMILES

Cc1ccc(I)c(N)c1

InChIKey

KXPBTNCFONSVIA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8IN/c1-5-2-3-6(8)7(9)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-5-methyl-
m-Toluidine, 6-iodo-
2-Iodo-5-methylaniline
2-Iodo-5-methylphenylamine

Work with 2-Iodo-5-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

2,5-Xylidine95-78-362 % similar 3,4-Diaminotoluene496-72-060 % similar 1-Iodo-2,4-dimethylbenzene4214-28-258 % similar 2,4-Xylidine95-68-156 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-954 % similar 2-Iodo-1,4-dimethylbenzene1122-42-552 % similar 2-Fluoro-1-iodo-4-methylbenzene452-79-952 % similar 2-Fluoro-5-methylaniline452-84-652 % similar

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

Same formula

4-Iodo-2-methylaniline13194-68-8 2-Iodo-4-methylaniline29289-13-2 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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