4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine

C16H24BrNO2 — CID 102745320

IUPAC4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCOc1ccc(Br)c(CN2CC(C)(C)OC(C)(C)C2)c1
InChIInChI=1S/C16H24BrNO2/c1-15(2)10-18(11-16(3,4)20-15)9-12-8-13(19-5)6-7-14(12)17/h6-8H,9-11H2,1-5H3
InChIKeyOHRHCWTZNAQMEV-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.85
Rot. Bonds3

About 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine

4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine (PubChem CID 102745320) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
PubChem CID102745320
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCOc1ccc(Br)c(CN2CC(C)(C)OC(C)(C)C2)c1
InChIInChI=1S/C16H24BrNO2/c1-15(2)10-18(11-16(3,4)20-15)9-12-8-13(19-5)6-7-14(12)17/h6-8H,9-11H2,1-5H3
InChIKeyOHRHCWTZNAQMEV-UHFFFAOYSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
CID 102744368
1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305379
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65323230
4-[(3-bromo-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745328
1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropyl-3-methylpiperazine
CID 65325766
1-[(2-bromo-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151916
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161901
2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 65327008
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647769
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine (CID 102745320) is 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine is COc1ccc(Br)c(CN2CC(C)(C)OC(C)(C)C2)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is OHRHCWTZNAQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-15(2)10-18(11-16(3,4)20-15)9-12-8-13(19-5)6-7-14(12)17/h6-8H,9-11H2,1-5H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 342.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).