1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol

C19H21NO6 — CID 3068438

IUPAC1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol
SMILESOC(CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO6/c21-13(10-22-14-5-6-17-19(7-14)25-12-24-17)8-20-9-15-11-23-16-3-1-2-4-18(16)26-15/h1-7,13,15,20-21H,8-12H2
InChIKeyOAIIRKGKLCATBN-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.58
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol

1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol (PubChem CID 3068438) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol
PubChem CID3068438
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol
SMILESOC(CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO6/c21-13(10-22-14-5-6-17-19(7-14)25-12-24-17)8-20-9-15-11-23-16-3-1-2-4-18(16)26-15/h1-7,13,15,20-21H,8-12H2
InChIKeyOAIIRKGKLCATBN-UHFFFAOYSA-N
XLogP1.58
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 2086427
4-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine
CID 13289725
(2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-(2-fluorophenoxy)propan-2-ol
CID 8762150
(2S)-1-(2-chlorophenoxy)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]propan-2-ol
CID 40555378
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)propan-1-amine;hydrochloride
CID 139774391
(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2101327
1-(tert-butylamino)-3-[[3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]propan-2-ol
CID 10719864
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119751804
(2R)-1-(1,3-benzodioxol-5-yloxy)-4-methylpentan-2-ol
CID 164702579
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 95352501
N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol (CID 3068438) is 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol is OC(CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol?
The InChIKey is OAIIRKGKLCATBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c21-13(10-22-14-5-6-17-19(7-14)25-12-24-17)8-20-9-15-11-23-16-3-1-2-4-18(16)26-15/h1-7,13,15,20-21H,8-12H2.
What are the key properties of 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol?
1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol has a molecular weight of 359.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 3068438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).