2,5-Dimethylindole

C₁₀H₁₁NCAS 1196-79-8145.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁N
Molar mass: 145.21 g/mol
Exact mass: 145.0891 Da
Melting point: 115.3 °C
Boiling point: 105 °C (at 0.3 Torr)
logP: 2.78Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

1196-79-8

SMILES

Cc1ccc2[nH]c(C)cc2c1

InChIKey

ZFLFWZRPMDXJCW-UHFFFAOYSA-N

InChI

InChI=1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3

Weigh it out

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

Names and synonyms

3 names

1H-Indole, 2,5-dimethyl-
Indole, 2,5-dimethyl-
2,5-Dimethyl-1H-indole

Work with 2,5-Dimethylindole

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

5-Bromo-2-methylindole1075-34-960 % similar 5-Chloro-2-methyl-1H-indole1075-35-060 % similar 2-Methyl-1H-indol-5-ol13314-85-760 % similar 5-Fluoro-2-methylindole399-72-460 % similar 2-Methylindole95-20-557 % similar 5-Methoxy-2-methylindole1076-74-056 % similar 5-Methylindole614-96-052 % similar 5-Methylindole-2-carboxylic acid10241-97-150 % similar

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

Same formula

2,5-Dimethylbenzeneacetonitrile16213-85-7 4-Ethynyl-N,N-dimethylaniline17573-94-3 Benzenebutanenitrile2046-18-6 3,5-Dimethylbenzeneacetonitrile39101-54-7 α-Ethylbenzeneacetonitrile769-68-6 1,2-Dimethylindole875-79-6 2,3-Dimethylindole91-55-4

Elsewhere

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