1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine

C8H11Cl2NS — CID 43493044

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H11Cl2NS/c1-3-11-5(2)6-4-7(9)12-8(6)10/h4-5,11H,3H2,1-2H3
InChIKeyMKYXSRVARNSYBE-UHFFFAOYSA-N
MW224.16 g/mol
LogP3.73
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine

1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine (PubChem CID 43493044) has the molecular formula C8H11Cl2NS and a molecular weight of 224.16 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
PubChem CID43493044
Molecular FormulaC8H11Cl2NS
Molecular Weight224.16 g/mol
Exact Mass223.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H11Cl2NS/c1-3-11-5(2)6-4-7(9)12-8(6)10/h4-5,11H,3H2,1-2H3
InChIKeyMKYXSRVARNSYBE-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
CID 115709946
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720708
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 107968621
1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103775330
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348956
1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613567
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine (CID 43493044) is 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine is CCNC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
The InChIKey is MKYXSRVARNSYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NS/c1-3-11-5(2)6-4-7(9)12-8(6)10/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine has a molecular weight of 224.16 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 43493044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).