2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol

C11H18ClNO2S — CID 115707270

IUPAC2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol
SMILESCCC(NCCOCCO)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S/c1-2-9(10-3-4-11(12)16-10)13-5-7-15-8-6-14/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyALEIOOUOLGXVGN-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.45
Rot. Bonds8

About 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol

2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol (PubChem CID 115707270) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol
PubChem CID115707270
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Name2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol
SMILESCCC(NCCOCCO)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S/c1-2-9(10-3-4-11(12)16-10)13-5-7-15-8-6-14/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyALEIOOUOLGXVGN-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706228
N-[1-(5-chlorothiophen-2-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716203
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
[1-(5-chlorothiophen-2-yl)-3-propoxypropyl]hydrazine
CID 105328204
N-[1-(5-chlorothiophen-2-yl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726040
ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 103243974
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142
1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 115726395
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol (CID 115707270) is 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol is CCC(NCCOCCO)c1ccc(Cl)s1.
What is the InChIKey of 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol?
The InChIKey is ALEIOOUOLGXVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S/c1-2-9(10-3-4-11(12)16-10)13-5-7-15-8-6-14/h3-4,9,13-14H,2,5-8H2,1H3.
What are the key properties of 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol?
2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol has a molecular weight of 263.79 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol is sourced from PubChem (CID 115707270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).