4-Iodo-2,6-dimethylbenzenamine

C₈H₁₀INCAS 4102-53-8247.08 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀IN
Molar mass: 247.08 g/mol
Exact mass: 246.9858 Da
Melting point: 52 °C
Boiling point: 120 °C (at 0.998 Torr)
logP: 2.49Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

4102-53-8

SMILES

Cc1cc(I)cc(C)c1N

InChIKey

BJJSUOOEBCCLNY-UHFFFAOYSA-N

InChI

InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 4-iodo-2,6-dimethyl-
2,6-Xylidine, 4-iodo-
2,6-Dimethyl-4-iodoaniline
4-Iodo-2,6-dimethylaniline
NSC 128900

Work with 4-Iodo-2,6-dimethylbenzenamine

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

3,3',5,5'-Tetramethylbenzidine54827-17-762 % similar 2,4,6-Trimethylaniline88-05-159 % similar 4-Amino-3,5-dimethylphenol3096-70-657 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-854 % similar 4,4′-Methylenebis(2,6-dimethylaniline)4073-98-754 % similar 3,3′,5,5′-Tetramethylbenzidine dihydrochloride64285-73-054 % similar 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-352 % similar 4-Iodo-2,6-dimethylphenol10570-67-950 % similar

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

Elsewhere

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