1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

C14H14BrCl2NS — CID 107992590

IUPAC1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H14BrCl2NS/c1-2-18-13(8-10-4-6-14(17)19-10)11-5-3-9(16)7-12(11)15/h3-7,13,18H,2,8H2,1H3
InChIKeyKLMKJUDQUKRCLV-UHFFFAOYSA-N
MW379.15 g/mol
LogP5.71
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 107992590) has the molecular formula C14H14BrCl2NS and a molecular weight of 379.15 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID107992590
Molecular FormulaC14H14BrCl2NS
Molecular Weight379.15 g/mol
Exact Mass376.94
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H14BrCl2NS/c1-2-18-13(8-10-4-6-14(17)19-10)11-5-3-9(16)7-12(11)15/h3-7,13,18H,2,8H2,1H3
InChIKeyKLMKJUDQUKRCLV-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.15
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 114906530
1-(3-bromo-4-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 82809329
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841674
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 114022092

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 107992590) is 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is KLMKJUDQUKRCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NS/c1-2-18-13(8-10-4-6-14(17)19-10)11-5-3-9(16)7-12(11)15/h3-7,13,18H,2,8H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 379.15 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 107992590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).