1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole

C15H19FN2 — CID 117178853

IUPAC1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole
SMILESCCn1cc(CN2CCCC2)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2/c1-2-18-11-12(10-17-7-3-4-8-17)14-6-5-13(16)9-15(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeySPMSMHMBJRTBNR-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.40
Rot. Bonds3

About 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole

1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole (PubChem CID 117178853) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole
PubChem CID117178853
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole
SMILESCCn1cc(CN2CCCC2)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2/c1-2-18-11-12(10-17-7-3-4-8-17)14-6-5-13(16)9-15(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeySPMSMHMBJRTBNR-UHFFFAOYSA-N
XLogP3.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
CID 117178863
3-(azepan-1-ylmethyl)-6-chloro-1-ethylindole
CID 117178871
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
(1-ethyl-6-fluoroindol-3-yl)methanethiol
CID 117179129
5-fluoro-1-octyl-3-(pyrrolidin-1-ylmethyl)indole
CID 50916342
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480
5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
CID 50916158
[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine
CID 117178747
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
[2-(azepan-1-ylmethyl)-5-fluorophenyl]boronic acid
CID 54970471
3-ethyl-6-fluoro-1-pentylindole
CID 143347565

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole (CID 117178853) is 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole is CCn1cc(CN2CCCC2)c2ccc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is SPMSMHMBJRTBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-2-18-11-12(10-17-7-3-4-8-17)14-6-5-13(16)9-15(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole?
1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 246.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 117178853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).