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

C16H23NO3 — CID 65101722

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine
SMILESCCC1(CC)CNCC(c2ccc3c(c2)OCCO3)O1
InChIInChI=1S/C16H23NO3/c1-3-16(4-2)11-17-10-15(20-16)12-5-6-13-14(9-12)19-8-7-18-13/h5-6,9,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyOKKXIINUXKHLPK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.68
Rot. Bonds3

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

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine (PubChem CID 65101722) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine
PubChem CID65101722
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine
SMILESCCC1(CC)CNCC(c2ccc3c(c2)OCCO3)O1
InChIInChI=1S/C16H23NO3/c1-3-16(4-2)11-17-10-15(20-16)12-5-6-13-14(9-12)19-8-7-18-13/h5-6,9,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyOKKXIINUXKHLPK-UHFFFAOYSA-N
XLogP2.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
CID 82281355
2,2-diethyl-6-(furan-2-yl)morpholine
CID 65101887
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
CID 63297544
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
CID 82116569
6-(2,5-dimethoxyphenyl)-2,2-diethylmorpholine
CID 65102058
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
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)-5-(2-methylpropyl)morpholine
CID 61251441
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2,2-triethylcyclobutan-1-amine
CID 81417404
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390221
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxa-1-azaspiro[5.5]undecane
CID 62521799

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine (CID 65101722) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine is CCC1(CC)CNCC(c2ccc3c(c2)OCCO3)O1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine?
The InChIKey is OKKXIINUXKHLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-16(4-2)11-17-10-15(20-16)12-5-6-13-14(9-12)19-8-7-18-13/h5-6,9,15,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine has a molecular weight of 277.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine is sourced from PubChem (CID 65101722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).