2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol

C12H21NO2S — CID 68725588

IUPAC2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol
SMILESCCN(CC)CCOC(CO)c1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-13(4-2)7-8-15-11(10-14)12-6-5-9-16-12/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyUDXKUHMNBBNVEJ-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.14
Rot. Bonds8

About 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol

2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol (PubChem CID 68725588) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol
PubChem CID68725588
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol
SMILESCCN(CC)CCOC(CO)c1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-13(4-2)7-8-15-11(10-14)12-6-5-9-16-12/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyUDXKUHMNBBNVEJ-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol (CID 68725588) is 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol is CCN(CC)CCOC(CO)c1cccs1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol?
The InChIKey is UDXKUHMNBBNVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-3-13(4-2)7-8-15-11(10-14)12-6-5-9-16-12/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol?
2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol has a molecular weight of 243.37 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-2-thiophen-2-ylethanol is sourced from PubChem (CID 68725588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).