1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine

C17H24N2S — CID 114909627

IUPAC1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCN1CCCC1CNC(C)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-3-19-10-6-8-15(19)12-18-13(2)17-11-14-7-4-5-9-16(14)20-17/h4-5,7,9,11,13,15,18H,3,6,8,10,12H2,1-2H3
InChIKeyHIZYRPALYIHYRR-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.04
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 114909627) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID114909627
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCN1CCCC1CNC(C)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-3-19-10-6-8-15(19)12-18-13(2)17-11-14-7-4-5-9-16(14)20-17/h4-5,7,9,11,13,15,18H,3,6,8,10,12H2,1-2H3
InChIKeyHIZYRPALYIHYRR-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43195903
2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 42641302
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100978
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764811
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047
1-(1-benzothiophen-2-yl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 114909813
N-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 114910077

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine (CID 114909627) is 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine is CCN1CCCC1CNC(C)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is HIZYRPALYIHYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-19-10-6-8-15(19)12-18-13(2)17-11-14-7-4-5-9-16(14)20-17/h4-5,7,9,11,13,15,18H,3,6,8,10,12H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114909627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).