4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine

C12H19Cl2NS — CID 65306196

IUPAC4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cc(Cl)sc1Cl
InChIInChI=1S/C12H19Cl2NS/c1-4-15-8-12(2,3)6-5-9-7-10(13)16-11(9)14/h7,15H,4-6,8H2,1-3H3
InChIKeyHABDEZWNCUOITF-UHFFFAOYSA-N
MW280.26 g/mol
LogP4.62
Rot. Bonds6

About 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine

4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 65306196) has the molecular formula C12H19Cl2NS and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID65306196
Molecular FormulaC12H19Cl2NS
Molecular Weight280.26 g/mol
Exact Mass279.06
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cc(Cl)sc1Cl
InChIInChI=1S/C12H19Cl2NS/c1-4-15-8-12(2,3)6-5-9-7-10(13)16-11(9)14/h7,15H,4-6,8H2,1-3H3
InChIKeyHABDEZWNCUOITF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 65306196) is 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNCC(C)(C)CCc1cc(Cl)sc1Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is HABDEZWNCUOITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NS/c1-4-15-8-12(2,3)6-5-9-7-10(13)16-11(9)14/h7,15H,4-6,8H2,1-3H3.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 280.26 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65306196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).