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

C13H22ClNOS — CID 103783012

IUPAC1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H22ClNOS/c1-4-10(5-2)11(16)8-15-9(3)12-6-7-13(14)17-12/h6-7,9-11,15-16H,4-5,8H2,1-3H3
InChIKeyUFBJWIWNHQVPQO-UHFFFAOYSA-N
MW275.84 g/mol
LogP3.85
Rot. Bonds7

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

1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 103783012) has the molecular formula C13H22ClNOS and a molecular weight of 275.84 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
PubChem CID103783012
Molecular FormulaC13H22ClNOS
Molecular Weight275.84 g/mol
Exact Mass275.11
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H22ClNOS/c1-4-10(5-2)11(16)8-15-9(3)12-6-7-13(14)17-12/h6-7,9-11,15-16H,4-5,8H2,1-3H3
InChIKeyUFBJWIWNHQVPQO-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115714106
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54954410
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734683

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol (CID 103783012) is 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is UFBJWIWNHQVPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNOS/c1-4-10(5-2)11(16)8-15-9(3)12-6-7-13(14)17-12/h6-7,9-11,15-16H,4-5,8H2,1-3H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol has a molecular weight of 275.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103783012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).