2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine

C13H16ClNO3 — CID 117427284

IUPAC2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
SMILESCc1c2c(cc(Cl)c1C1CNCCO1)OCCO2
InChIInChI=1S/C13H16ClNO3/c1-8-12(11-7-15-2-3-16-11)9(14)6-10-13(8)18-5-4-17-10/h6,11,15H,2-5,7H2,1H3
InChIKeyOGQCDWSGYOOKKT-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.08
Rot. Bonds1

About 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine

2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine (PubChem CID 117427284) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine.

Molecular Properties

Compound Name2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
PubChem CID117427284
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
SMILESCc1c2c(cc(Cl)c1C1CNCCO1)OCCO2
InChIInChI=1S/C13H16ClNO3/c1-8-12(11-7-15-2-3-16-11)9(14)6-10-13(8)18-5-4-17-10/h6,11,15H,2-5,7H2,1H3
InChIKeyOGQCDWSGYOOKKT-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.08
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-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117392145
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
CID 117342217
4-chloro-3-methyl-2-morpholin-2-yl-6-propan-2-ylphenol
CID 117427567
2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117483006
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
The IUPAC name of 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine (CID 117427284) is 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine.
What is the SMILES notation for 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
The canonical SMILES for 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine is Cc1c2c(cc(Cl)c1C1CNCCO1)OCCO2.
What is the InChIKey of 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
The InChIKey is OGQCDWSGYOOKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8-12(11-7-15-2-3-16-11)9(14)6-10-13(8)18-5-4-17-10/h6,11,15H,2-5,7H2,1H3.
What are the key properties of 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine has a molecular weight of 269.73 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine is sourced from PubChem (CID 117427284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).