2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine

C13H17NO3 — CID 117342217

IUPAC2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
SMILESCc1c(C2CNCCO2)cc2c(c1C)OCO2
InChIInChI=1S/C13H17NO3/c1-8-9(2)13-11(16-7-17-13)5-10(8)12-6-14-3-4-15-12/h5,12,14H,3-4,6-7H2,1-2H3
InChIKeyTXFVWSRVEAEVNL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.69
Rot. Bonds1

About 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine

2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine (PubChem CID 117342217) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine.

Molecular Properties

Compound Name2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
PubChem CID117342217
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
SMILESCc1c(C2CNCCO2)cc2c(c1C)OCO2
InChIInChI=1S/C13H17NO3/c1-8-9(2)13-11(16-7-17-13)5-10(8)12-6-14-3-4-15-12/h5,12,14H,3-4,6-7H2,1-2H3
InChIKeyTXFVWSRVEAEVNL-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117376104
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117499204
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117392145
2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117483006
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117421822
2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
CID 117427284
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117346368
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
2-methyl-5-morpholin-2-ylbenzene-1,4-diol
CID 117298411

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine?
The IUPAC name of 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine (CID 117342217) is 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine.
What is the SMILES notation for 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine?
The canonical SMILES for 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine is Cc1c(C2CNCCO2)cc2c(c1C)OCO2.
What is the InChIKey of 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine?
The InChIKey is TXFVWSRVEAEVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-9(2)13-11(16-7-17-13)5-10(8)12-6-14-3-4-15-12/h5,12,14H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine?
2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine has a molecular weight of 235.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine is sourced from PubChem (CID 117342217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).