1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol

C13H23NO2S — CID 63931939

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNC(C)c1cc(C)sc1C
InChIInChI=1S/C13H23NO2S/c1-5-16-8-12(15)7-14-10(3)13-6-9(2)17-11(13)4/h6,10,12,14-15H,5,7-8H2,1-4H3
InChIKeyDSWROUIGNQVSHN-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.41
Rot. Bonds7

About 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol

1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol (PubChem CID 63931939) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol
PubChem CID63931939
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNC(C)c1cc(C)sc1C
InChIInChI=1S/C13H23NO2S/c1-5-16-8-12(15)7-14-10(3)13-6-9(2)17-11(13)4/h6,10,12,14-15H,5,7-8H2,1-4H3
InChIKeyDSWROUIGNQVSHN-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol (CID 63931939) is 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol is CCOCC(O)CNC(C)c1cc(C)sc1C.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol?
The InChIKey is DSWROUIGNQVSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-5-16-8-12(15)7-14-10(3)13-6-9(2)17-11(13)4/h6,10,12,14-15H,5,7-8H2,1-4H3.
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol?
1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol has a molecular weight of 257.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63931939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).