2-(2-bromo-3,6-dimethylphenyl)morpholine

C12H16BrNO — CID 84808936

IUPAC2-(2-bromo-3,6-dimethylphenyl)morpholine
SMILESCc1ccc(C)c(C2CNCCO2)c1Br
InChIInChI=1S/C12H16BrNO/c1-8-3-4-9(2)12(13)11(8)10-7-14-5-6-15-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyPFOZYFTXLKPVPI-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.73
Rot. Bonds1

About 2-(2-bromo-3,6-dimethylphenyl)morpholine

2-(2-bromo-3,6-dimethylphenyl)morpholine (PubChem CID 84808936) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(2-bromo-3,6-dimethylphenyl)morpholine.

Molecular Properties

Compound Name2-(2-bromo-3,6-dimethylphenyl)morpholine
PubChem CID84808936
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(2-bromo-3,6-dimethylphenyl)morpholine
SMILESCc1ccc(C)c(C2CNCCO2)c1Br
InChIInChI=1S/C12H16BrNO/c1-8-3-4-9(2)12(13)11(8)10-7-14-5-6-15-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyPFOZYFTXLKPVPI-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627
2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117483006
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
2-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 86586429
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,6-dimethylphenyl)morpholine?
The IUPAC name of 2-(2-bromo-3,6-dimethylphenyl)morpholine (CID 84808936) is 2-(2-bromo-3,6-dimethylphenyl)morpholine.
What is the SMILES notation for 2-(2-bromo-3,6-dimethylphenyl)morpholine?
The canonical SMILES for 2-(2-bromo-3,6-dimethylphenyl)morpholine is Cc1ccc(C)c(C2CNCCO2)c1Br.
What is the InChIKey of 2-(2-bromo-3,6-dimethylphenyl)morpholine?
The InChIKey is PFOZYFTXLKPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-3-4-9(2)12(13)11(8)10-7-14-5-6-15-10/h3-4,10,14H,5-7H2,1-2H3.
What are the key properties of 2-(2-bromo-3,6-dimethylphenyl)morpholine?
2-(2-bromo-3,6-dimethylphenyl)morpholine has a molecular weight of 270.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,6-dimethylphenyl)morpholine is sourced from PubChem (CID 84808936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).