1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone

C16H23ClN2O3 — CID 119784366

IUPAC1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CC(c2ccccc2Cl)OCC1C
InChIInChI=1S/C16H23ClN2O3/c1-12-11-22-15(13-5-3-4-6-14(13)17)10-19(12)16(20)9-18-7-8-21-2/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyIPMZKBJKOUPYPE-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.86
Rot. Bonds6

About 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone

1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 119784366) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID119784366
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CC(c2ccccc2Cl)OCC1C
InChIInChI=1S/C16H23ClN2O3/c1-12-11-22-15(13-5-3-4-6-14(13)17)10-19(12)16(20)9-18-7-8-21-2/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyIPMZKBJKOUPYPE-UHFFFAOYSA-N
XLogP1.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Morpholine-4-carboxylic acid (1-{[(3-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 10884634
Morpholine-4-carboxylic acid (1-{[(2-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 11732856
2-(4-Chlorophenyl)-3-methylmorpholine
CID 215992
Morpholine-4-carboxylic acid (1-{[(4-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 11826257
2-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134144201
[1-(2-Chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
CID 3230484
2-amino-N-[(2S,4R,5R)-2-(4-chlorophenyl)-4-methyl-1,3-dioxan-5-yl]acetamide
CID 44452296
2-(2-Chlorophenyl)morpholine
CID 3739938
2-(3-Chlorophenyl)-5-methylmorpholine
CID 43367106
6-(3-Chlorophenyl)morpholin-3-one
CID 102555154
2-[(o-chlorophenyl)methylsulfonylamino]-1-[(R)-2-phenyl-4-morpholinyl]-1-ethanone
CID 27376030
1-[2-[(2-Chlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44358411

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone (CID 119784366) is 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CC(c2ccccc2Cl)OCC1C.
What is the InChIKey of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is IPMZKBJKOUPYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12-11-22-15(13-5-3-4-6-14(13)17)10-19(12)16(20)9-18-7-8-21-2/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 326.82 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119784366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).