3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol

C15H21NO4 — CID 103904838

IUPAC3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4/c1-11(16-9-15(17)4-5-18-10-15)12-2-3-13-14(8-12)20-7-6-19-13/h2-3,8,11,16-17H,4-7,9-10H2,1H3
InChIKeyCLJLMRNVRHLFPH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.26
Rot. Bonds4

About 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol

3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 103904838) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID103904838
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4/c1-11(16-9-15(17)4-5-18-10-15)12-2-3-13-14(8-12)20-7-6-19-13/h2-3,8,11,16-17H,4-7,9-10H2,1H3
InChIKeyCLJLMRNVRHLFPH-UHFFFAOYSA-N
XLogP1.26
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol with MolForge

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Related Compounds

3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]oxolan-3-ol
CID 103904784
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 103903089
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415003
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]butan-1-ol
CID 106840592

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol (CID 103904838) is 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is CLJLMRNVRHLFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(16-9-15(17)4-5-18-10-15)12-2-3-13-14(8-12)20-7-6-19-13/h2-3,8,11,16-17H,4-7,9-10H2,1H3.
What are the key properties of 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 279.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).