2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine

C16H20ClNOS — CID 115841428

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(OCC)cc1
InChIInChI=1S/C16H20ClNOS/c1-3-18-15(11-14-9-10-16(17)20-14)12-5-7-13(8-6-12)19-4-2/h5-10,15,18H,3-4,11H2,1-2H3
InChIKeyJMIFIZYJPUVNNO-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.69
Rot. Bonds7

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

2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine (PubChem CID 115841428) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
PubChem CID115841428
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(OCC)cc1
InChIInChI=1S/C16H20ClNOS/c1-3-18-15(11-14-9-10-16(17)20-14)12-5-7-13(8-6-12)19-4-2/h5-10,15,18H,3-4,11H2,1-2H3
InChIKeyJMIFIZYJPUVNNO-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
1-(3-bromo-4-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 82809329
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105135284
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine (CID 115841428) is 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)c1ccc(OCC)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The InChIKey is JMIFIZYJPUVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-3-18-15(11-14-9-10-16(17)20-14)12-5-7-13(8-6-12)19-4-2/h5-10,15,18H,3-4,11H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine has a molecular weight of 309.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 115841428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).