2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine

C15H17BrClNOS — CID 115849041

IUPAC2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H17BrClNOS/c1-3-18-13(9-15-12(16)6-7-20-15)11-8-10(17)4-5-14(11)19-2/h4-8,13,18H,3,9H2,1-2H3
InChIKeyJVGMFHLICRYNDR-UHFFFAOYSA-N
MW374.73 g/mol
LogP5.07
Rot. Bonds6

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

2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine (PubChem CID 115849041) has the molecular formula C15H17BrClNOS and a molecular weight of 374.73 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
PubChem CID115849041
Molecular FormulaC15H17BrClNOS
Molecular Weight374.73 g/mol
Exact Mass372.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H17BrClNOS/c1-3-18-13(9-15-12(16)6-7-20-15)11-8-10(17)4-5-14(11)19-2/h4-8,13,18H,3,9H2,1-2H3
InChIKeyJVGMFHLICRYNDR-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

N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115849219
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305467
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
1-(5-chloro-2-methoxyphenyl)-N,3-diethylpentan-1-amine
CID 105028250
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029989
1-(5-chloro-2-methoxyphenyl)-N-ethylbut-3-yn-1-amine
CID 114977581
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine (CID 115849041) is 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine is CCNC(Cc1sccc1Br)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine?
The InChIKey is JVGMFHLICRYNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNOS/c1-3-18-13(9-15-12(16)6-7-20-15)11-8-10(17)4-5-14(11)19-2/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-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 2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 115849041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).