3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol

C15H15NO3S — CID 166998345

IUPAC3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol
SMILESNCCC(O)(Oc1cccc2ccoc12)c1cccs1
InChIInChI=1S/C15H15NO3S/c16-8-7-15(17,13-5-2-10-20-13)19-12-4-1-3-11-6-9-18-14(11)12/h1-6,9-10,17H,7-8,16H2
InChIKeyGIHMOUPIZXMKOP-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.07
Rot. Bonds5

About 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol

3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol (PubChem CID 166998345) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol
PubChem CID166998345
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol
SMILESNCCC(O)(Oc1cccc2ccoc12)c1cccs1
InChIInChI=1S/C15H15NO3S/c16-8-7-15(17,13-5-2-10-20-13)19-12-4-1-3-11-6-9-18-14(11)12/h1-6,9-10,17H,7-8,16H2
InChIKeyGIHMOUPIZXMKOP-UHFFFAOYSA-N
XLogP3.07
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 166998249
(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 166998253
1-isoquinolin-5-yloxy-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 166998235
(4S)-4-(1-benzofuran-7-yloxy)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 166711998
benzyl 4-amino-2-naphthalen-1-yloxy-2-thiophen-2-ylbutanoate
CID 175608074
1-benzofuran-7-yl 2-iodo-2-methylbutanoate
CID 129168422
1-(1-benzothiophen-5-yloxy)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 166998366
1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate
CID 175480089
tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate
CID 83693955
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
2-[(3S)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropyl]isoindole-1,3-dione;sulfane
CID 165064554
methyl (2S)-1-[(3S)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropyl]pyrrolidine-2-carboxylate
CID 146397428

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol (CID 166998345) is 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol is NCCC(O)(Oc1cccc2ccoc12)c1cccs1.
What is the InChIKey of 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is GIHMOUPIZXMKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c16-8-7-15(17,13-5-2-10-20-13)19-12-4-1-3-11-6-9-18-14(11)12/h1-6,9-10,17H,7-8,16H2.
What are the key properties of 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol?
3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 289.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 166998345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).