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

C15H17BrClNOS — CID 115841674

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H17BrClNOS/c1-3-18-13(9-11-5-7-15(17)20-11)12-6-4-10(16)8-14(12)19-2/h4-8,13,18H,3,9H2,1-2H3
InChIKeyZKQVRQXKJBFZJM-UHFFFAOYSA-N
MW374.73 g/mol
LogP5.07
Rot. Bonds6

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

1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 115841674) has the molecular formula C15H17BrClNOS and a molecular weight of 374.73 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID115841674
Molecular FormulaC15H17BrClNOS
Molecular Weight374.73 g/mol
Exact Mass372.99
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H17BrClNOS/c1-3-18-13(9-11-5-7-15(17)20-11)12-6-4-10(16)8-14(12)19-2/h4-8,13,18H,3,9H2,1-2H3
InChIKeyZKQVRQXKJBFZJM-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.73
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105296071
1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 114906530
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
N-[1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841362
[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105295836
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
N-[(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 115368910
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 115841674) is 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is ZKQVRQXKJBFZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNOS/c1-3-18-13(9-11-5-7-15(17)20-11)12-6-4-10(16)8-14(12)19-2/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 374.73 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115841674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).