3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol

C14H15NO2S — CID 62840280

IUPAC3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(NC1COc2cc(O)ccc21)c1ccsc1
InChIInChI=1S/C14H15NO2S/c1-9(10-4-5-18-8-10)15-13-7-17-14-6-11(16)2-3-12(13)14/h2-6,8-9,13,15-16H,7H2,1H3
InChIKeyGGXLMFSMLWRYAF-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.24
Rot. Bonds3

About 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 62840280) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID62840280
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(NC1COc2cc(O)ccc21)c1ccsc1
InChIInChI=1S/C14H15NO2S/c1-9(10-4-5-18-8-10)15-13-7-17-14-6-11(16)2-3-12(13)14/h2-6,8-9,13,15-16H,7H2,1H3
InChIKeyGGXLMFSMLWRYAF-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81350810
3-[[(1S)-1-(3-methylphenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81364279
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81365402
3-[1-(5-methylthiophen-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61473460
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60945327
3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43202630
3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81402485
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
3-(1-methylsulfonylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64630825

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 62840280) is 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol is CC(NC1COc2cc(O)ccc21)c1ccsc1.
What is the InChIKey of 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is GGXLMFSMLWRYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(10-4-5-18-8-10)15-13-7-17-14-6-11(16)2-3-12(13)14/h2-6,8-9,13,15-16H,7H2,1H3.
What are the key properties of 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 261.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 62840280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).