1,1,2-Trimethyl-1H-benz[e]indole

C15H15NCAS 41532-84-7209.29 g/mol

Open in Covalent MOL file
N
Imine

Properties

Molecular formula
C15H15N
Molar mass
209.29 g/mol
Exact mass
209.1204 Da
Melting point
115.5–116 °C
logP
4.22Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 53 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
41532-84-7
SMILES
CC1=Nc2ccc3ccccc3c2C1(C)C
InChIKey
WJZSZXCWMATYFX-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • 1H-Benz[e]indole, 1,1,2-trimethyl-
  • 1,1,2-Trimethylbenz[e]indole
  • 2,3,3-Trimethyl-4,5-benzo-3H-indole
  • 2,3,3-Trimethyl-3H-benz[e]indole
  • 1,2-Trimethyl-[1H]-benz[e]indole
  • 1,1,2-Trimethylbenzo[e]indolenine
  • 2,3,3-Trimethylbenzoindolenine

Work with 1,1,2-Trimethyl-1H-benz[e]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-Trimethylindolenine1640-39-753 % similar 2,3,3,5-Tetramethyl-3H-indole25981-82-244 % similar 5-Chloro-2,3,3-trimethyl-3H-indole25981-83-343 % similar N-1-Naphthylacetamide575-36-041 % similar 2-Nitroso-1-naphthol132-53-638 % similar 2,3,3-Trimethyl-5-nitroindolenine3484-22-837 % similar Phenanthrene85-01-837 % similar Chrysene218-01-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9,9-Dimethyl-9H-fluoren-2-amine108714-73-4 (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline118864-75-8 2-Benzyl-3-phenylaziridine1605-08-9 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline22990-19-8 9,9-Dimethyl-9,10-dihydroacridine6267-02-3 2,3,3-Trimethyl-3H-benzo(g)indole74470-85-2

Elsewhere

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