3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol

C11H18ClNOS — CID 102976626

IUPAC3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
SMILESCC(NC(C)C(C)CO)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-7(5-14)8(2)13-9(3)10-4-11(12)15-6-10/h4,6-9,13-14H,5H2,1-3H3
InChIKeyBJAHZGOOBGWPMX-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.07
Rot. Bonds5

About 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol

3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol (PubChem CID 102976626) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
PubChem CID102976626
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
SMILESCC(NC(C)C(C)CO)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-7(5-14)8(2)13-9(3)10-4-11(12)15-6-10/h4,6-9,13-14H,5H2,1-3H3
InChIKeyBJAHZGOOBGWPMX-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115722751
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
N-[1-(5-chlorothiophen-3-yl)ethyl]cyclopent-3-en-1-amine
CID 102976675
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol (CID 102976626) is 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol is CC(NC(C)C(C)CO)c1csc(Cl)c1.
What is the InChIKey of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol?
The InChIKey is BJAHZGOOBGWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-7(5-14)8(2)13-9(3)10-4-11(12)15-6-10/h4,6-9,13-14H,5H2,1-3H3.
What are the key properties of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol?
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol has a molecular weight of 247.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 102976626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).