1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

C13H19Cl2NOS — CID 107968196

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H19Cl2NOS/c1-2-16-11(7-9-3-5-17-6-4-9)10-8-12(14)18-13(10)15/h8-9,11,16H,2-7H2,1H3
InChIKeyPTAMQVAERMRJHS-UHFFFAOYSA-N
MW308.27 g/mol
LogP4.52
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 107968196) has the molecular formula C13H19Cl2NOS and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID107968196
Molecular FormulaC13H19Cl2NOS
Molecular Weight308.27 g/mol
Exact Mass307.06
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H19Cl2NOS/c1-2-16-11(7-9-3-5-17-6-4-9)10-8-12(14)18-13(10)15/h8-9,11,16H,2-7H2,1H3
InChIKeyPTAMQVAERMRJHS-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191
[1-(2,5-dichlorothiophen-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107970203
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
CID 107968368
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 114330620

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 107968196) is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is PTAMQVAERMRJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NOS/c1-2-16-11(7-9-3-5-17-6-4-9)10-8-12(14)18-13(10)15/h8-9,11,16H,2-7H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 308.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 107968196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).