5-Chloro-2-methylene-1,3,3-trimethylindoline

C₁₂H₁₄ClNCAS 6872-17-9207.70 g/mol

Open in Covalent MOL file

Alkene Aryl halide Tertiary amine

Properties

Molecular formula: C₁₂H₁₄ClN
Molar mass: 207.70 g/mol
Exact mass: 207.0815 Da
logP: 3.58Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

6872-17-9

SMILES

C=C1N(C)c2ccc(Cl)cc2C1(C)C

InChIKey

VDMXGJJMPKAYQP-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3

Weigh it out

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

Names and synonyms

8 names

1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-
Indoline, 5-chloro-1,3,3-trimethyl-2-methylene-
5-Chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-1H-indole
5-Chloro-1,3,3-trimethyl-2-methyleneindoline
1,3,3-Trimethyl-5-chloro-2-methyleneindoline
2-Methylene-1,3,3-trimethyl-5-chloroindoline
1,3,3-Trimethyl-2-methylene-5-chloroindoline
NSC 158263

Work with 5-Chloro-2-methylene-1,3,3-trimethylindoline

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

1,3,3-Trimethyl-2-methyleneindoline118-12-761 % similar 5-Chloro-2,3,3-trimethyl-3H-indole25981-83-342 % similar 2-(Formylmethylene)-1,3,3-trimethylindoline84-83-335 % similar Clobazam22316-47-834 % similar Diazepam439-14-532 % similar Chlorodiazepam2894-68-031 % similar 4-Chloro-1,2-dimethylbenzene615-60-131 % similar Temazepam846-50-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methyl-N-naphthylmethylamine hydrochloride65473-13-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook