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

C11H15NO3 — CID 65184600

IUPAC3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESNCCC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO3/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,7,9,13H,3-6,12H2
InChIKeyLAAUPSQFXDWJRV-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.84
Rot. Bonds3

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

3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (PubChem CID 65184600) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
PubChem CID65184600
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESNCCC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO3/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,7,9,13H,3-6,12H2
InChIKeyLAAUPSQFXDWJRV-UHFFFAOYSA-N
XLogP0.84
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 60869534
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoropentan-1-ol
CID 115515355
(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 95941519
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 61087676
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340030
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentane-1,5-diamine
CID 171226610

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (CID 65184600) is 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is NCCC(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The InChIKey is LAAUPSQFXDWJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,7,9,13H,3-6,12H2.
What are the key properties of 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is sourced from PubChem (CID 65184600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).