2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine

C12H12BrCl2NS2 — CID 114022092

IUPAC2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12BrCl2NS2/c1-2-16-9(5-7-3-4-10(13)17-7)8-6-11(14)18-12(8)15/h3-4,6,9,16H,2,5H2,1H3
InChIKeyFJYUHGZAPFNKRP-UHFFFAOYSA-N
MW385.18 g/mol
LogP5.77
Rot. Bonds5

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

2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine (PubChem CID 114022092) has the molecular formula C12H12BrCl2NS2 and a molecular weight of 385.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
PubChem CID114022092
Molecular FormulaC12H12BrCl2NS2
Molecular Weight385.18 g/mol
Exact Mass382.90
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12BrCl2NS2/c1-2-16-9(5-7-3-4-10(13)17-7)8-6-11(14)18-12(8)15/h3-4,6,9,16H,2,5H2,1H3
InChIKeyFJYUHGZAPFNKRP-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
CID 115841070
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107968948
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 107968020
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 114906530

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine (CID 114022092) is 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine is CCNC(Cc1ccc(Br)s1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
The InChIKey is FJYUHGZAPFNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NS2/c1-2-16-9(5-7-3-4-10(13)17-7)8-6-11(14)18-12(8)15/h3-4,6,9,16H,2,5H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine has a molecular weight of 385.18 g/mol, XLogP of 5.77, 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-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 114022092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).