5-Chloro-2,3,3-trimethyl-3H-indole

C₁₁H₁₂ClNCAS 25981-83-3193.67 g/mol

Open in Covalent MOL file

Aryl halide Imine

Properties

Molecular formula: C₁₁H₁₂ClN
Molar mass: 193.67 g/mol
Exact mass: 193.0658 Da
logP: 3.72Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

25981-83-3

SMILES

CC1=Nc2ccc(Cl)cc2C1(C)C

InChIKey

GSKATGIMEUGNJN-UHFFFAOYSA-N

InChI

InChI=1S/C11H12ClN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

4 names

3H-Indole, 5-chloro-2,3,3-trimethyl-
2,3,3-Trimethyl-5-chloroindolenine
5-Chloro-2,3,3-trimethylindolenine
2,3,3-Trimethyl-5-chloro-3H-indole

Work with 5-Chloro-2,3,3-trimethyl-3H-indole

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

2,3,3,5-Tetramethyl-3H-indole25981-82-262 % similar 2,3,3-Trimethylindolenine1640-39-755 % similar 2,3,3-Trimethyl-5-nitroindolenine3484-22-851 % similar N-(2,4-Dichlorophenyl)acetamide6975-29-745 % similar 1,1,2-Trimethyl-1H-benz[E]indole41532-84-743 % similar N-(4-Chloro-2-fluorophenyl)acetamide59280-70-543 % similar 5-Chloro-2-methylene-1,3,3-trimethylindoline6872-17-942 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-638 % similar

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

Same formula

4-Chloro-α-(1-methylethyl)benzeneacetonitrile2012-81-9

Elsewhere

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