2,3,3,5-Tetramethyl-3H-indole

C₁₂H₁₅NCAS 25981-82-2173.26 g/mol

Open in Covalent MOL file

Imine

Properties

Molecular formula: C₁₂H₁₅N
Molar mass: 173.26 g/mol
Exact mass: 173.1204 Da
logP: 3.38Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation71.4% of notifiers
H412 Harmful to aquatic life with long lasting effects28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25981-82-2

SMILES

CC1=Nc2ccc(C)cc2C1(C)C

InChIKey

RQVAPBRSUHSDGP-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N/c1-8-5-6-11-10(7-8)12(3,4)9(2)13-11/h5-7H,1-4H3

Weigh it out

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

Names and synonyms

3 names

3H-Indole, 2,3,3,5-tetramethyl-
2,3,3,5-Tetramethylindolenine
2,3,3,5-Tetramethylindole

Work with 2,3,3,5-Tetramethyl-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

5-Chloro-2,3,3-trimethyl-3H-indole25981-83-362 % similar 2,3,3-Trimethylindolenine1640-39-756 % similar 2,3,3-Trimethyl-5-nitroindolenine3484-22-853 % similar 1,1,2-Trimethyl-1H-benz[e]indole41532-84-744 % similar 5-Methylindolin-2-one3484-35-342 % similar N-(2-Bromo-4-methylphenyl)acetamide614-83-540 % similar 2,3,3-Trimethyl-3H-benzo(g)indole74470-85-239 % similar 1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene6683-48-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,3-Trimethyl-2-methyleneindoline118-12-7 2,2,4-Trimethyl-1,2-dihydroquinoline147-47-7 2-(1,1-Dimethylethyl)-1H-indole1805-65-8 2,2,4-Trimethyl-1,2-dihydroquinoline polymer26780-96-1 (4-tert-Butylphenyl)acetonitrile3288-99-1 1-Benzyl-1,2,3,6-tetrahydropyridine40240-12-8 4'-Diethylaminophenyl acetylene41876-70-4 Julolidine479-59-4

Elsewhere

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