1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone

C14H24BrNO3 — CID 103166689

IUPAC1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CC(CBr)OCC2C)C1
InChIInChI=1S/C14H24BrNO3/c1-3-18-12-4-11(5-12)6-14(17)16-8-13(7-15)19-9-10(16)2/h10-13H,3-9H2,1-2H3
InChIKeyKMMVNEUCGOFOPL-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone

1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103166689) has the molecular formula C14H24BrNO3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103166689
Molecular FormulaC14H24BrNO3
Molecular Weight334.25 g/mol
Exact Mass333.09
IUPAC Name1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CC(CBr)OCC2C)C1
InChIInChI=1S/C14H24BrNO3/c1-3-18-12-4-11(5-12)6-14(17)16-8-13(7-15)19-9-10(16)2/h10-13H,3-9H2,1-2H3
InChIKeyKMMVNEUCGOFOPL-UHFFFAOYSA-N
XLogP2.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.20
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-(bromomethyl)-5-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 114459047
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
CID 103166687
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79606856
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-3-phenoxypropan-1-one
CID 81212080
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691054
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-butylcyclohexyl)methanone
CID 81213915
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone (CID 103166689) is 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CC(CBr)OCC2C)C1.
What is the InChIKey of 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is KMMVNEUCGOFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO3/c1-3-18-12-4-11(5-12)6-14(17)16-8-13(7-15)19-9-10(16)2/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone?
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 334.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103166689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).