3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol

C15H19NO3S — CID 168595930

IUPAC3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccccc1OCCc1cccs1
InChIInChI=1S/C15H19NO3S/c17-11-12(18)10-16-14-5-1-2-6-15(14)19-8-7-13-4-3-9-20-13/h1-6,9,12,16-18H,7-8,10-11H2
InChIKeyUREBHXHPICJKFR-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.13
Rot. Bonds8

About 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol

3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol (PubChem CID 168595930) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol
PubChem CID168595930
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccccc1OCCc1cccs1
InChIInChI=1S/C15H19NO3S/c17-11-12(18)10-16-14-5-1-2-6-15(14)19-8-7-13-4-3-9-20-13/h1-6,9,12,16-18H,7-8,10-11H2
InChIKeyUREBHXHPICJKFR-UHFFFAOYSA-N
XLogP2.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}

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Related Compounds

3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63776386
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol (CID 168595930) is 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol is OCC(O)CNc1ccccc1OCCc1cccs1.
What is the InChIKey of 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol?
The InChIKey is UREBHXHPICJKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-11-12(18)10-16-14-5-1-2-6-15(14)19-8-7-13-4-3-9-20-13/h1-6,9,12,16-18H,7-8,10-11H2.
What are the key properties of 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol?
3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol has a molecular weight of 293.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol is sourced from PubChem (CID 168595930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).