2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

C12H13BrClNS2 — CID 115841258

IUPAC2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1sccc1Cl
InChIInChI=1S/C12H13BrClNS2/c1-2-15-10(12-9(14)5-6-16-12)7-8-3-4-11(13)17-8/h3-6,10,15H,2,7H2,1H3
InChIKeyCNPROIBSNCDOFY-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.12
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 115841258) has the molecular formula C12H13BrClNS2 and a molecular weight of 350.73 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID115841258
Molecular FormulaC12H13BrClNS2
Molecular Weight350.73 g/mol
Exact Mass348.94
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1sccc1Cl
InChIInChI=1S/C12H13BrClNS2/c1-2-15-10(12-9(14)5-6-16-12)7-8-3-4-11(13)17-8/h3-6,10,15H,2,7H2,1H3
InChIKeyCNPROIBSNCDOFY-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 114022092
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
CID 115841070
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80641097
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (CID 115841258) is 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Br)s1)c1sccc1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is CNPROIBSNCDOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNS2/c1-2-15-10(12-9(14)5-6-16-12)7-8-3-4-11(13)17-8/h3-6,10,15H,2,7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 350.73 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115841258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).