2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine

C12H14BrNO3 — CID 117483006

IUPAC2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
SMILESCc1cc2c(c(Br)c1C1CNCCO1)OCO2
InChIInChI=1S/C12H14BrNO3/c1-7-4-8-12(17-6-16-8)11(13)10(7)9-5-14-2-3-15-9/h4,9,14H,2-3,5-6H2,1H3
InChIKeyDZBSRNJYUSDXHQ-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine

2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine (PubChem CID 117483006) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine.

Molecular Properties

Compound Name2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
PubChem CID117483006
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
SMILESCc1cc2c(c(Br)c1C1CNCCO1)OCO2
InChIInChI=1S/C12H14BrNO3/c1-7-4-8-12(17-6-16-8)11(13)10(7)9-5-14-2-3-15-9/h4,9,14H,2-3,5-6H2,1H3
InChIKeyDZBSRNJYUSDXHQ-UHFFFAOYSA-N
XLogP2.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117392145
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
CID 117342217
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117499204
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627
6-bromo-7-morpholin-2-yl-1,3-benzodioxole-4-carbaldehyde
CID 117499066
3-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 84815880
2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
CID 117427284
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine?
The IUPAC name of 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine (CID 117483006) is 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine.
What is the SMILES notation for 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine?
The canonical SMILES for 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine is Cc1cc2c(c(Br)c1C1CNCCO1)OCO2.
What is the InChIKey of 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine?
The InChIKey is DZBSRNJYUSDXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-7-4-8-12(17-6-16-8)11(13)10(7)9-5-14-2-3-15-9/h4,9,14H,2-3,5-6H2,1H3.
What are the key properties of 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine?
2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine has a molecular weight of 300.15 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine is sourced from PubChem (CID 117483006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).