2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

C16H22N2S — CID 62699247

IUPAC2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1csc2ccccc12
InChIInChI=1S/C16H22N2S/c1-2-12-6-5-9-18(12)15(10-17)14-11-19-16-8-4-3-7-13(14)16/h3-4,7-8,11-12,15H,2,5-6,9-10,17H2,1H3
InChIKeyQGPWOHMCWUDKHV-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.78
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (PubChem CID 62699247) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
PubChem CID62699247
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1csc2ccccc12
InChIInChI=1S/C16H22N2S/c1-2-12-6-5-9-18(12)15(10-17)14-11-19-16-8-4-3-7-13(14)16/h3-4,7-8,11-12,15H,2,5-6,9-10,17H2,1H3
InChIKeyQGPWOHMCWUDKHV-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 82752189
2-(azepan-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 55108750
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54978141
1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165928
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
CID 115862520
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(2-ethylpyrrolidin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanamine
CID 60974191
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (CID 62699247) is 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is CCC1CCCN1C(CN)c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The InChIKey is QGPWOHMCWUDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-12-6-5-9-18(12)15(10-17)14-11-19-16-8-4-3-7-13(14)16/h3-4,7-8,11-12,15H,2,5-6,9-10,17H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 62699247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).