1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C17H24N2S — CID 106603496

IUPAC1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-3-19(12-15-8-6-10-18-15)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
InChIKeyNLXXZHJCMKLMSE-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.04
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106603496) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106603496
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-3-19(12-15-8-6-10-18-15)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
InChIKeyNLXXZHJCMKLMSE-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

1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605605
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603359
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622746
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604631
N-ethyl-1-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603598
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106603496) is 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CC1CCCN1)C(C)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is NLXXZHJCMKLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-19(12-15-8-6-10-18-15)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-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)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-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106603496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).