5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole

C16H19Cl2N — CID 106985139

IUPAC5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole
SMILESCC(c1c[nH]c2c(Cl)cc(Cl)cc12)C1CCCCC1
InChIInChI=1S/C16H19Cl2N/c1-10(11-5-3-2-4-6-11)14-9-19-16-13(14)7-12(17)8-15(16)18/h7-11,19H,2-6H2,1H3
InChIKeyGITOBMSKWKWZFU-UHFFFAOYSA-N
MW296.24 g/mol
LogP6.16
Rot. Bonds2

About 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole

5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole (PubChem CID 106985139) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole.

Molecular Properties

Compound Name5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole
PubChem CID106985139
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole
SMILESCC(c1c[nH]c2c(Cl)cc(Cl)cc12)C1CCCCC1
InChIInChI=1S/C16H19Cl2N/c1-10(11-5-3-2-4-6-11)14-9-19-16-13(14)7-12(17)8-15(16)18/h7-11,19H,2-6H2,1H3
InChIKeyGITOBMSKWKWZFU-UHFFFAOYSA-N
XLogP6.16
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.24
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 137449495
4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane
CID 143126857
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4,6-dichlorophenol
CID 171162019
2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171284821
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
CID 65021234
5,7-dichloro-2-propan-2-yl-1H-indole
CID 164776982
5,7-dichloro-3-octyl-1H-indole
CID 106984988
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole?
The IUPAC name of 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole (CID 106985139) is 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole.
What is the SMILES notation for 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole?
The canonical SMILES for 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole is CC(c1c[nH]c2c(Cl)cc(Cl)cc12)C1CCCCC1.
What is the InChIKey of 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole?
The InChIKey is GITOBMSKWKWZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N/c1-10(11-5-3-2-4-6-11)14-9-19-16-13(14)7-12(17)8-15(16)18/h7-11,19H,2-6H2,1H3.
What are the key properties of 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole?
5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole has a molecular weight of 296.24 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole is sourced from PubChem (CID 106985139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).