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

C11H12ClNCAS 25981-83-3193.67 g/mol

Open in Covalent MOL file
NCl
Aryl halideImine

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4'-Chloro-2'-fluoroacetanilide59280-70-543 % similar 5-Chloro-2-methylene-1,3,3-trimethylindoline6872-17-942 % similar 2,3,3-Trimethyl-3H-benzo(g)indole74470-85-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook