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

C15H17BrClNOS — CID 80531281

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)c1cc(Cl)c(Br)s1
InChIInChI=1S/C15H17BrClNOS/c1-3-18-12(14-9-11(17)15(16)20-14)8-10-6-4-5-7-13(10)19-2/h4-7,9,12,18H,3,8H2,1-2H3
InChIKeyKUQPBJSOMYBBAI-UHFFFAOYSA-N
MW374.73 g/mol
LogP5.07
Rot. Bonds6

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

1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (PubChem CID 80531281) has the molecular formula C15H17BrClNOS and a molecular weight of 374.73 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
PubChem CID80531281
Molecular FormulaC15H17BrClNOS
Molecular Weight374.73 g/mol
Exact Mass372.99
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)c1cc(Cl)c(Br)s1
InChIInChI=1S/C15H17BrClNOS/c1-3-18-12(14-9-11(17)15(16)20-14)8-10-6-4-5-7-13(10)19-2/h4-7,9,12,18H,3,8H2,1-2H3
InChIKeyKUQPBJSOMYBBAI-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-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 80531238
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 80532042
1-(5-chlorofuran-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 106687833
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 80531226
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 63528444
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107982814
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702
1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 61066107
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (CID 80531281) is 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccccc1OC)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The InChIKey is KUQPBJSOMYBBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNOS/c1-3-18-12(14-9-11(17)15(16)20-14)8-10-6-4-5-7-13(10)19-2/h4-7,9,12,18H,3,8H2,1-2H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine 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-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 80531281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).