5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole

C18H18ClN — CID 90747819

IUPAC5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
SMILESCCc1ccccc1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN/c1-2-13-5-3-4-6-14(13)7-8-15-12-20-18-10-9-16(19)11-17(15)18/h3-6,9-12,20H,2,7-8H2,1H3
InChIKeyUYENLOGAPRYVMG-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.17
Rot. Bonds4

About 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole

5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole (PubChem CID 90747819) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
PubChem CID90747819
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
SMILESCCc1ccccc1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN/c1-2-13-5-3-4-6-14(13)7-8-15-12-20-18-10-9-16(19)11-17(15)18/h3-6,9-12,20H,2,7-8H2,1H3
InChIKeyUYENLOGAPRYVMG-UHFFFAOYSA-N
XLogP5.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
CID 170598946
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole?
The IUPAC name of 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole (CID 90747819) is 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole is CCc1ccccc1CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole?
The InChIKey is UYENLOGAPRYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-2-13-5-3-4-6-14(13)7-8-15-12-20-18-10-9-16(19)11-17(15)18/h3-6,9-12,20H,2,7-8H2,1H3.
What are the key properties of 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole?
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole has a molecular weight of 283.80 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole is sourced from PubChem (CID 90747819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).