1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol

C11H19NO2S — CID 63934503

IUPAC1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCCOCC(O)CNC(C)c1ccsc1
InChIInChI=1S/C11H19NO2S/c1-3-14-7-11(13)6-12-9(2)10-4-5-15-8-10/h4-5,8-9,11-13H,3,6-7H2,1-2H3
InChIKeyIMKVLJJBCNDZEQ-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.80
Rot. Bonds7

About 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol

1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol (PubChem CID 63934503) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
PubChem CID63934503
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCCOCC(O)CNC(C)c1ccsc1
InChIInChI=1S/C11H19NO2S/c1-3-14-7-11(13)6-12-9(2)10-4-5-15-8-10/h4-5,8-9,11-13H,3,6-7H2,1-2H3
InChIKeyIMKVLJJBCNDZEQ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62839978
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840500
1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841532
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63931946
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 115895627
methyl 2-bromo-3-(1-thiophen-3-ylethylamino)propanoate
CID 103249721

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol (CID 63934503) is 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol is CCOCC(O)CNC(C)c1ccsc1.
What is the InChIKey of 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The InChIKey is IMKVLJJBCNDZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-14-7-11(13)6-12-9(2)10-4-5-15-8-10/h4-5,8-9,11-13H,3,6-7H2,1-2H3.
What are the key properties of 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol has a molecular weight of 229.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 63934503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).