chempirical

5-Chloroindoline

C8H8ClNCAS 25658-80-4153.61 g/mol

Open in Covalent MOL file
ClNH
Aryl halideSecondary amine

Properties

Molecular formula
C8H8ClN
Molar mass
153.61 g/mol
Exact mass
153.0345 Da
Boiling point
132–135 °C (at 20 Torr)
logP
2.31Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
25658-80-4
SMILES
Clc1ccc2c(c1)CCN2
InChIKey
YMCIVAPEOZDEGH-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole, 5-chloro-2,3-dihydro-
  • Indoline, 5-chloro-
  • 5-Chloro-2,3-dihydro-1H-indole
  • 5-Chloro-2,3-dihydroindole

Work with 5-Chloroindoline

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

Indoline496-15-148 % similar 5-Nitroindoline32692-19-646 % similar 5-Chlorooxindole17630-75-044 % similar 4-Chloro-N1-ethyl-1,2-benzenediamine62476-15-744 % similar 6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-444 % similar 6-Hydroxy-1,2,3,4-tetrahydroquinoline3373-00-044 % similar 6-Methyl-1,2,3,4-tetrahydroquinoline91-61-244 % similar 5,6-Dihydroxyindoline29539-03-544 % similar

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

Same formula

4-Chloroindoline41910-64-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook