5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol

C11H15NO3 — CID 117298493

IUPAC5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESCC(CN)c1cc(O)cc2c1OCCO2
InChIInChI=1S/C11H15NO3/c1-7(6-12)9-4-8(13)5-10-11(9)15-3-2-14-10/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyLCNYCLVWKUPHCN-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.23
Rot. Bonds2

About 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol

5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 117298493) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID117298493
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESCC(CN)c1cc(O)cc2c1OCCO2
InChIInChI=1S/C11H15NO3/c1-7(6-12)9-4-8(13)5-10-11(9)15-3-2-14-10/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyLCNYCLVWKUPHCN-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

7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
5-(1-aminopropan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464826
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 117351497
2-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117343376
2-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117468334
2-(6-bromo-1,3-benzodioxol-4-yl)propan-1-amine
CID 117398360
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117432680
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
3-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butan-1-amine
CID 117396093
8-(1-aminopropan-2-yl)-6-bromo-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 117483072
2-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117483712
2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117461064

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol (CID 117298493) is 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol is CC(CN)c1cc(O)cc2c1OCCO2.
What is the InChIKey of 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is LCNYCLVWKUPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(6-12)9-4-8(13)5-10-11(9)15-3-2-14-10/h4-5,7,13H,2-3,6,12H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol?
5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-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 5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 117298493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).