1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine

C11H18ClNOS — CID 102976976

IUPAC1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-8(2)14-5-4-13-9(3)10-6-11(12)15-7-10/h6-9,13H,4-5H2,1-3H3
InChIKeyVSFGAZWEINMTRW-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.48
Rot. Bonds6

About 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine

1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 102976976) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID102976976
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-8(2)14-5-4-13-9(3)10-6-11(12)15-7-10/h6-9,13H,4-5H2,1-3H3
InChIKeyVSFGAZWEINMTRW-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5-Chlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 102976464
3-[1-(5-Chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
CID 102976659
3-[1-(5-Chlorothiophen-3-yl)ethylamino]-2,2-difluoropropan-1-ol
CID 102976983
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
CID 103082614
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207256
N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207388
3-[1-(2,5-Dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778659
3-[1-(2,5-Dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787951
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 113260625
1-(5-chlorothiophen-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 113759884
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 113788153
3-(2-Chlorothiophen-3-yl)-1,4-oxazepane
CID 146193625

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine (CID 102976976) is 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCNC(C)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is VSFGAZWEINMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-8(2)14-5-4-13-9(3)10-6-11(12)15-7-10/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 247.79 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 102976976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).