4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine

C16H24BrNO — CID 165487496

IUPAC4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCc1cccc(CN2CC(C)(C)OC(C)(C)C2)c1Br
InChIInChI=1S/C16H24BrNO/c1-12-7-6-8-13(14(12)17)9-18-10-15(2,3)19-16(4,5)11-18/h6-8H,9-11H2,1-5H3
InChIKeyYSTINSWUBGVQNK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.15
Rot. Bonds2

About 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine

4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine (PubChem CID 165487496) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine
PubChem CID165487496
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCc1cccc(CN2CC(C)(C)OC(C)(C)C2)c1Br
InChIInChI=1S/C16H24BrNO/c1-12-7-6-8-13(14(12)17)9-18-10-15(2,3)19-16(4,5)11-18/h6-8H,9-11H2,1-5H3
InChIKeyYSTINSWUBGVQNK-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 172648455
4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
CID 102744368
2-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 114048476
2-nitro-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
CID 107351631
3-methyl-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]benzonitrile
CID 102743866
4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745320
3-bromo-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]benzoic acid
CID 102768228
[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methanol
CID 102745130
4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745314
4-[(3-bromo-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745328
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102743422

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine (CID 165487496) is 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine is Cc1cccc(CN2CC(C)(C)OC(C)(C)C2)c1Br.
What is the InChIKey of 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is YSTINSWUBGVQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12-7-6-8-13(14(12)17)9-18-10-15(2,3)19-16(4,5)11-18/h6-8H,9-11H2,1-5H3.
What are the key properties of 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine?
4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 326.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 165487496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).