4-chloro-1-ethyl-2,3-dihydroindole

C10H12ClN — CID 89041162

IUPAC4-chloro-1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-2-12-7-6-8-9(11)4-3-5-10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyKODBJCLHPJYTDC-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.72
Rot. Bonds1

About 4-chloro-1-ethyl-2,3-dihydroindole

4-chloro-1-ethyl-2,3-dihydroindole (PubChem CID 89041162) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 4-chloro-1-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-chloro-1-ethyl-2,3-dihydroindole
PubChem CID89041162
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name4-chloro-1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-2-12-7-6-8-9(11)4-3-5-10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyKODBJCLHPJYTDC-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-tetrahydro-1H-pyrrol-1-ylbenzonitrile
CID 2804367
1-Methyl-2,3-dihydro-1H-indole
CID 55830
5-Chloro-1,3,3-trimethyl-2-methyleneindoline
CID 81308
5-Chloroindoline
CID 117596
7-Chloro-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9859144
(S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735313
(S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 44316017
1,2-Dimethylindoline
CID 583485
1-(4-Chloroindolin-1-yl)ethanone
CID 69558542
2-(4-Chloro-2,3-dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660287
1-(4-Chloro-2,3-dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660293
1-Methyl-5-chloroindoline methylbromide
CID 36077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-2,3-dihydroindole?
The IUPAC name of 4-chloro-1-ethyl-2,3-dihydroindole (CID 89041162) is 4-chloro-1-ethyl-2,3-dihydroindole.
What is the SMILES notation for 4-chloro-1-ethyl-2,3-dihydroindole?
The canonical SMILES for 4-chloro-1-ethyl-2,3-dihydroindole is CCN1CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-2,3-dihydroindole?
The InChIKey is KODBJCLHPJYTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-2-12-7-6-8-9(11)4-3-5-10(8)12/h3-5H,2,6-7H2,1H3.
What are the key properties of 4-chloro-1-ethyl-2,3-dihydroindole?
4-chloro-1-ethyl-2,3-dihydroindole has a molecular weight of 181.67 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-2,3-dihydroindole is sourced from PubChem (CID 89041162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).