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

C13H16BrNO3 — CID 117499204

IUPAC2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
SMILESCc1c(Br)c(C2CNCCO2)cc2c1OCCO2
InChIInChI=1S/C13H16BrNO3/c1-8-12(14)9(11-7-15-2-3-16-11)6-10-13(8)18-5-4-17-10/h6,11,15H,2-5,7H2,1H3
InChIKeySLURWKZULQCLAH-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.19
Rot. Bonds1

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

2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine (PubChem CID 117499204) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine.

Molecular Properties

Compound Name2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
PubChem CID117499204
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
SMILESCc1c(Br)c(C2CNCCO2)cc2c1OCCO2
InChIInChI=1S/C13H16BrNO3/c1-8-12(14)9(11-7-15-2-3-16-11)6-10-13(8)18-5-4-17-10/h6,11,15H,2-5,7H2,1H3
InChIKeySLURWKZULQCLAH-UHFFFAOYSA-N
XLogP2.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.19
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-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
CID 117342217
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-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117421822
2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117483006
2-bromo-4-methyl-5-morpholin-2-ylphenol
CID 84809549
4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]morpholine
CID 117488290
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The IUPAC name of 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine (CID 117499204) is 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine.
What is the SMILES notation for 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The canonical SMILES for 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine is Cc1c(Br)c(C2CNCCO2)cc2c1OCCO2.
What is the InChIKey of 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The InChIKey is SLURWKZULQCLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-8-12(14)9(11-7-15-2-3-16-11)6-10-13(8)18-5-4-17-10/h6,11,15H,2-5,7H2,1H3.
What are the key properties of 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine has a molecular weight of 314.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine is sourced from PubChem (CID 117499204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).