3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol

C14H21NO5 — CID 66184838

IUPAC3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO5/c1-14(18,9-16)8-15-7-11(17)10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6,11,15-18H,4-5,7-9H2,1H3
InChIKeyOAKAUONOULRCPB-UHFFFAOYSA-N
MW283.32 g/mol
LogP-0.18
Rot. Bonds6

About 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol

3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol (PubChem CID 66184838) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol
PubChem CID66184838
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO5/c1-14(18,9-16)8-15-7-11(17)10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6,11,15-18H,4-5,7-9H2,1H3
InChIKeyOAKAUONOULRCPB-UHFFFAOYSA-N
XLogP-0.18
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol with MolForge

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Related Compounds

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1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152410
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
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2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-N-methylacetamide
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3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-3-methylbutanamide
CID 104580505
1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81411928
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoroanilino)ethanol
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol (CID 66184838) is 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCC(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol?
The InChIKey is OAKAUONOULRCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-14(18,9-16)8-15-7-11(17)10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6,11,15-18H,4-5,7-9H2,1H3.
What are the key properties of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol?
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol has a molecular weight of 283.32 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66184838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).