3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol

C15H17NO3S — CID 65189566

IUPAC3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
SMILESNCC(c1ccc2c(c1)OCCO2)C(O)c1cccs1
InChIInChI=1S/C15H17NO3S/c16-9-11(15(17)14-2-1-7-20-14)10-3-4-12-13(8-10)19-6-5-18-12/h1-4,7-8,11,15,17H,5-6,9,16H2
InChIKeyGDYWVGVIVCUZIF-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol

3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 65189566) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
PubChem CID65189566
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
SMILESNCC(c1ccc2c(c1)OCCO2)C(O)c1cccs1
InChIInChI=1S/C15H17NO3S/c16-9-11(15(17)14-2-1-7-20-14)10-3-4-12-13(8-10)19-6-5-18-12/h1-4,7-8,11,15,17H,5-6,9,16H2
InChIKeyGDYWVGVIVCUZIF-UHFFFAOYSA-N
XLogP2.30
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 80525401
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpentan-3-ol
CID 65189565
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-3-ol
CID 65189758
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206020
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94317247
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211958

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol (CID 65189566) is 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol is NCC(c1ccc2c(c1)OCCO2)C(O)c1cccs1.
What is the InChIKey of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is GDYWVGVIVCUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c16-9-11(15(17)14-2-1-7-20-14)10-3-4-12-13(8-10)19-6-5-18-12/h1-4,7-8,11,15,17H,5-6,9,16H2.
What are the key properties of 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol?
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 291.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65189566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).