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

C12H20ClNOS — CID 115920469

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-4-7-12(3,8-15)14-9(2)10-5-6-11(13)16-10/h5-6,9,14-15H,4,7-8H2,1-3H3
InChIKeyRGRIEAUYWRRCAD-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.60
Rot. Bonds6

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

2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol (PubChem CID 115920469) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
PubChem CID115920469
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-4-7-12(3,8-15)14-9(2)10-5-6-11(13)16-10/h5-6,9,14-15H,4,7-8H2,1-3H3
InChIKeyRGRIEAUYWRRCAD-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43740782
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246493
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol (CID 115920469) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol is CCCC(C)(CO)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol?
The InChIKey is RGRIEAUYWRRCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-4-7-12(3,8-15)14-9(2)10-5-6-11(13)16-10/h5-6,9,14-15H,4,7-8H2,1-3H3.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol?
2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol has a molecular weight of 261.82 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 115920469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).