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

C11H15NO3 — CID 117298618

IUPAC7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(N)Cc1cc2c(cc1O)OCCO2
InChIInChI=1S/C11H15NO3/c1-7(12)4-8-5-10-11(6-9(8)13)15-3-2-14-10/h5-7,13H,2-4,12H2,1H3
InChIKeyFNELVTOWKMOHSY-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.05
Rot. Bonds2

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

7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117298618) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117298618
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(N)Cc1cc2c(cc1O)OCCO2
InChIInChI=1S/C11H15NO3/c1-7(12)4-8-5-10-11(6-9(8)13)15-3-2-14-10/h5-7,13H,2-4,12H2,1H3
InChIKeyFNELVTOWKMOHSY-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-aminopropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464914
1-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117468288
4-(2-methoxypropyl)-7-oxabicyclo[4.1.0]hepta-1(6),2,4-trien-3-ol
CID 175566375
1-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117461128
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
6-(2-aminopropyl)-4-bromo-1,3-benzodioxol-5-ol
CID 117437377
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
CID 83890043
5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464917
6-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol
CID 155553936
6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol
CID 117331311
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117298618) is 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol is CC(N)Cc1cc2c(cc1O)OCCO2.
What is the InChIKey of 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is FNELVTOWKMOHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(12)4-8-5-10-11(6-9(8)13)15-3-2-14-10/h5-7,13H,2-4,12H2,1H3.
What are the key properties of 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 209.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117298618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).