2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine

C16H15BrFNS2 — CID 105139333

IUPAC2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H15BrFNS2/c1-2-19-14(8-13-7-11(17)9-20-13)16-6-10-5-12(18)3-4-15(10)21-16/h3-7,9,14,19H,2,8H2,1H3
InChIKeyROLOOPKZBMTYSK-UHFFFAOYSA-N
MW384.34 g/mol
LogP5.76
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine

2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine (PubChem CID 105139333) has the molecular formula C16H15BrFNS2 and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
PubChem CID105139333
Molecular FormulaC16H15BrFNS2
Molecular Weight384.34 g/mol
Exact Mass382.98
IUPAC Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H15BrFNS2/c1-2-19-14(8-13-7-11(17)9-20-13)16-6-10-5-12(18)3-4-15(10)21-16/h3-7,9,14,19H,2,8H2,1H3
InChIKeyROLOOPKZBMTYSK-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.34
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115847850
N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine
CID 105137624
2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115841174
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55186994
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
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
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81278511

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine (CID 105139333) is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine is CCNC(Cc1cc(Br)cs1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is ROLOOPKZBMTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNS2/c1-2-19-14(8-13-7-11(17)9-20-13)16-6-10-5-12(18)3-4-15(10)21-16/h3-7,9,14,19H,2,8H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 384.34 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 105139333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).