2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine

C16H15ClFNS2 — CID 115840517

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1cc2sccc2s1
InChIInChI=1S/C16H15ClFNS2/c1-2-19-13(7-10-3-4-11(18)8-12(10)17)15-9-16-14(21-15)5-6-20-16/h3-6,8-9,13,19H,2,7H2,1H3
InChIKeyPXIJXUAFSXUCOK-UHFFFAOYSA-N
MW339.89 g/mol
LogP5.65
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 115840517) has the molecular formula C16H15ClFNS2 and a molecular weight of 339.89 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID115840517
Molecular FormulaC16H15ClFNS2
Molecular Weight339.89 g/mol
Exact Mass339.03
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1cc2sccc2s1
InChIInChI=1S/C16H15ClFNS2/c1-2-19-13(7-10-3-4-11(18)8-12(10)17)15-9-16-14(21-15)5-6-20-16/h3-6,8-9,13,19H,2,7H2,1H3
InChIKeyPXIJXUAFSXUCOK-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.89
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832366
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818726
2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 103053200
N-[2-(2-chloro-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 115840336
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115840534
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 63949608
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974369

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 115840517) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine is CCNC(Cc1ccc(F)cc1Cl)c1cc2sccc2s1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is PXIJXUAFSXUCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNS2/c1-2-19-13(7-10-3-4-11(18)8-12(10)17)15-9-16-14(21-15)5-6-20-16/h3-6,8-9,13,19H,2,7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 339.89 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 115840517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).