2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

C17H19NS2 — CID 115824043

IUPAC2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1csc2ccccc12)c1ccc(C)s1
InChIInChI=1S/C17H19NS2/c1-3-18-15(17-9-8-12(2)20-17)10-13-11-19-16-7-5-4-6-14(13)16/h4-9,11,15,18H,3,10H2,1-2H3
InChIKeyGVZCYPUNOPCMKE-UHFFFAOYSA-N
MW301.48 g/mol
LogP5.16
Rot. Bonds5

About 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 115824043) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID115824043
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC Name2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1csc2ccccc12)c1ccc(C)s1
InChIInChI=1S/C17H19NS2/c1-3-18-15(17-9-8-12(2)20-17)10-13-11-19-16-7-5-4-6-14(13)16/h4-9,11,15,18H,3,10H2,1-2H3
InChIKeyGVZCYPUNOPCMKE-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
2-(1-benzothiophen-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115823579
2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790256
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360837
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 115823821
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197341
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720326
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (CID 115824043) is 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is CCNC(Cc1csc2ccccc12)c1ccc(C)s1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is GVZCYPUNOPCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS2/c1-3-18-15(17-9-8-12(2)20-17)10-13-11-19-16-7-5-4-6-14(13)16/h4-9,11,15,18H,3,10H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 301.48 g/mol, XLogP of 5.16, 5 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)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115824043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).