5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C16H19ClN2 — CID 73353367

IUPAC5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C16H19ClN2/c1-3-19-11(2)16(12-6-8-18-9-7-12)14-10-13(17)4-5-15(14)19/h4-6,10,18H,3,7-9H2,1-2H3
InChIKeyJGQGBOCRZHHYSW-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.00
Rot. Bonds2

About 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 73353367) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID73353367
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C16H19ClN2/c1-3-19-11(2)16(12-6-8-18-9-7-12)14-10-13(17)4-5-15(14)19/h4-6,10,18H,3,7-9H2,1-2H3
InChIKeyJGQGBOCRZHHYSW-UHFFFAOYSA-N
XLogP4.00
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 73353367) is 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is CCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is JGQGBOCRZHHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-19-11(2)16(12-6-8-18-9-7-12)14-10-13(17)4-5-15(14)19/h4-6,10,18H,3,7-9H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 274.79 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 73353367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).