1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine

C16H16BrNS2 — CID 115847850

IUPAC1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cc2ccccc2s1
InChIInChI=1S/C16H16BrNS2/c1-2-18-14(9-13-8-12(17)10-19-13)16-7-11-5-3-4-6-15(11)20-16/h3-8,10,14,18H,2,9H2,1H3
InChIKeyIOLRTZLFOVTLFY-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.62
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine

1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine (PubChem CID 115847850) has the molecular formula C16H16BrNS2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
PubChem CID115847850
Molecular FormulaC16H16BrNS2
Molecular Weight366.35 g/mol
Exact Mass364.99
IUPAC Name1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cc2ccccc2s1
InChIInChI=1S/C16H16BrNS2/c1-2-18-14(9-13-8-12(17)10-19-13)16-7-11-5-3-4-6-15(11)20-16/h3-8,10,14,18H,2,9H2,1H3
InChIKeyIOLRTZLFOVTLFY-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105139333
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 105139336
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115849242
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115841174
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
N-[1-benzothiophen-2-yl-(5-bromo-4-chlorothiophen-2-yl)methyl]ethanamine
CID 80531171
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine (CID 115847850) is 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(Br)cs1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
The InChIKey is IOLRTZLFOVTLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNS2/c1-2-18-14(9-13-8-12(17)10-19-13)16-7-11-5-3-4-6-15(11)20-16/h3-8,10,14,18H,2,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine has a molecular weight of 366.35 g/mol, XLogP of 5.62, 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)-2-(4-bromothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115847850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).