5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol

C11H15NO3 — CID 117298719

IUPAC5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(C)(N)c1c(O)ccc2c1OCCO2
InChIInChI=1S/C11H15NO3/c1-11(2,12)9-7(13)3-4-8-10(9)15-6-5-14-8/h3-4,13H,5-6,12H2,1-2H3
InChIKeyAFPCXELKYLGRJJ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.36
Rot. Bonds1

About 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol

5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117298719) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117298719
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(C)(N)c1c(O)ccc2c1OCCO2
InChIInChI=1S/C11H15NO3/c1-11(2,12)9-7(13)3-4-8-10(9)15-6-5-14-8/h3-4,13H,5-6,12H2,1-2H3
InChIKeyAFPCXELKYLGRJJ-UHFFFAOYSA-N
XLogP1.36
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 18177399
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117318443
2-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-amine
CID 117316786
ethyl 2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetate
CID 117383240
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117302822
ethyl 2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-enoate
CID 15613474
6-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 84666714
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene-19,22-diol
CID 13447077
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methylpropan-2-amine
CID 117381667
4-(2-aminopropan-2-yl)-6-chloro-1,3-benzodioxol-5-ol
CID 117331402
6-(1-aminocyclopentyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376057

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117298719) is 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol is CC(C)(N)c1c(O)ccc2c1OCCO2.
What is the InChIKey of 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is AFPCXELKYLGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,12)9-7(13)3-4-8-10(9)15-6-5-14-8/h3-4,13H,5-6,12H2,1-2H3.
What are the key properties of 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 209.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117298719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).