2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine

C13H18BrNO2 — CID 117483768

IUPAC2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
SMILESCOc1c(Br)c(C)cc(C)c1C1CNCCO1
InChIInChI=1S/C13H18BrNO2/c1-8-6-9(2)12(14)13(16-3)11(8)10-7-15-4-5-17-10/h6,10,15H,4-5,7H2,1-3H3
InChIKeyUIUVXDFJCHSWEM-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.74
Rot. Bonds2

About 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine

2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine (PubChem CID 117483768) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
PubChem CID117483768
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
SMILESCOc1c(Br)c(C)cc(C)c1C1CNCCO1
InChIInChI=1S/C13H18BrNO2/c1-8-6-9(2)12(14)13(16-3)11(8)10-7-15-4-5-17-10/h6,10,15H,4-5,7H2,1-3H3
InChIKeyUIUVXDFJCHSWEM-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
CID 117491098
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-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine
CID 117386739
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine?
The IUPAC name of 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine (CID 117483768) is 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine.
What is the SMILES notation for 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine?
The canonical SMILES for 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine is COc1c(Br)c(C)cc(C)c1C1CNCCO1.
What is the InChIKey of 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine?
The InChIKey is UIUVXDFJCHSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8-6-9(2)12(14)13(16-3)11(8)10-7-15-4-5-17-10/h6,10,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine?
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine has a molecular weight of 300.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine is sourced from PubChem (CID 117483768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).