3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine

C13H17NO3 — CID 82291102

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
SMILESCC1COCC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C13H17NO3/c1-9-7-15-8-11(14-9)10-2-3-12-13(6-10)17-5-4-16-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3
InChIKeyXXRMGOGQEAQCNL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.51
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine (PubChem CID 82291102) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
PubChem CID82291102
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
SMILESCC1COCC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C13H17NO3/c1-9-7-15-8-11(14-9)10-2-3-12-13(6-10)17-5-4-16-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3
InChIKeyXXRMGOGQEAQCNL-UHFFFAOYSA-N
XLogP1.51
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
CID 95437543
3-(4-chlorophenyl)-5-methylmorpholine
CID 57226628
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217458
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazepane
CID 66233978
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
CID 82281355
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-oxazepane
CID 83188382
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
6-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 162941534
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine (CID 82291102) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine is CC1COCC(c2ccc3c(c2)OCCO3)N1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
The InChIKey is XXRMGOGQEAQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-7-15-8-11(14-9)10-2-3-12-13(6-10)17-5-4-16-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine has a molecular weight of 235.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine is sourced from PubChem (CID 82291102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).