N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine

C17H19N3S — CID 11659397

IUPACN,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine
SMILESCN(C)CCc1sc2ccccc2c1Cc1cnccn1
InChIInChI=1S/C17H19N3S/c1-20(2)10-7-17-15(11-13-12-18-8-9-19-13)14-5-3-4-6-16(14)21-17/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyQWTQKWHOWDAFRM-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.39
Rot. Bonds5

About N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine

N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine (PubChem CID 11659397) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine
PubChem CID11659397
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine
SMILESCN(C)CCc1sc2ccccc2c1Cc1cnccn1
InChIInChI=1S/C17H19N3S/c1-20(2)10-7-17-15(11-13-12-18-8-9-19-13)14-5-3-4-6-16(14)21-17/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyQWTQKWHOWDAFRM-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426
Benzo(b)thiophene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-
CID 11580427
N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11623756
rac-N,N-dimethyl-2-(3-(1-(pyridin-4-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11638166
(-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11659592
rac-N,N-dimethyl-2-(3-(1-(6-methylpyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11681378

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine (CID 11659397) is N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine is CN(C)CCc1sc2ccccc2c1Cc1cnccn1.
What is the InChIKey of N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine?
The InChIKey is QWTQKWHOWDAFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-20(2)10-7-17-15(11-13-12-18-8-9-19-13)14-5-3-4-6-16(14)21-17/h3-6,8-9,12H,7,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine?
N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine has a molecular weight of 297.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1-benzothiophen-2-yl]ethanamine is sourced from PubChem (CID 11659397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).