1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

C11H20BrNO3 — CID 112604041

IUPAC1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H20BrNO3/c1-11(2,3)16-8-10(14)13-4-5-15-9(6-12)7-13/h9H,4-8H2,1-3H3
InChIKeyYLUCBSDBLRQBRN-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.42
Rot. Bonds3

About 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 112604041) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID112604041
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC Name1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H20BrNO3/c1-11(2,3)16-8-10(14)13-4-5-15-9(6-12)7-13/h9H,4-8H2,1-3H3
InChIKeyYLUCBSDBLRQBRN-UHFFFAOYSA-N
XLogP1.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.42
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

4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
1-[2-(bromomethyl)morpholin-4-yl]-3,3,3-trifluoropropan-1-one
CID 81211374
N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
CID 113355691
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114876906
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
CID 164818410
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 112604041) is 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is CC(C)(C)OCC(=O)N1CCOC(CBr)C1.
What is the InChIKey of 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is YLUCBSDBLRQBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-11(2,3)16-8-10(14)13-4-5-15-9(6-12)7-13/h9H,4-8H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 294.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 112604041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).