1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone

C14H18BrNO3 — CID 102937749

IUPAC1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
SMILESCC1CN(C(=O)COc2ccccc2)CC(CBr)O1
InChIInChI=1S/C14H18BrNO3/c1-11-8-16(9-13(7-15)19-11)14(17)10-18-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyNIBXWSDGBMDOOW-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone

1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone (PubChem CID 102937749) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
PubChem CID102937749
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
SMILESCC1CN(C(=O)COc2ccccc2)CC(CBr)O1
InChIInChI=1S/C14H18BrNO3/c1-11-8-16(9-13(7-15)19-11)14(17)10-18-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyNIBXWSDGBMDOOW-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone
CID 102937838
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 754225
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 102937638
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone (CID 102937749) is 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone is CC1CN(C(=O)COc2ccccc2)CC(CBr)O1.
What is the InChIKey of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone?
The InChIKey is NIBXWSDGBMDOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-11-8-16(9-13(7-15)19-11)14(17)10-18-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone?
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone has a molecular weight of 328.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone is sourced from PubChem (CID 102937749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).