7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol

C11H15NO3 — CID 117298496

IUPAC7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(CN)c1cc2c(cc1O)OCCO2
InChIInChI=1S/C11H15NO3/c1-7(6-12)8-4-10-11(5-9(8)13)15-3-2-14-10/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyXPUAMLROTBIWKU-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.23
Rot. Bonds2

About 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol

7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117298496) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117298496
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(CN)c1cc2c(cc1O)OCCO2
InChIInChI=1S/C11H15NO3/c1-7(6-12)8-4-10-11(5-9(8)13)15-3-2-14-10/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyXPUAMLROTBIWKU-UHFFFAOYSA-N
XLogP1.23
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117321995
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 117351497
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117298493
2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
CID 82495727
7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298618
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
5-(1-aminopropan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464826
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]butan-1-amine
CID 117439913
2-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117343376
5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 83879252

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117298496) is 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol is CC(CN)c1cc2c(cc1O)OCCO2.
What is the InChIKey of 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is XPUAMLROTBIWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(6-12)8-4-10-11(5-9(8)13)15-3-2-14-10/h4-5,7,13H,2-3,6,12H2,1H3.
What are the key properties of 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 209.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117298496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).