1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone

C20H22ClNO3 — CID 110644156

IUPAC1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2ccc(Cl)cc2)CC(Cc2ccccc2)O1
InChIInChI=1S/C20H22ClNO3/c1-15-12-22(13-19(25-15)11-16-5-3-2-4-6-16)20(23)14-24-18-9-7-17(21)8-10-18/h2-10,15,19H,11-14H2,1H3
InChIKeyUBVFOWHYQVWGIV-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone

1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone (PubChem CID 110644156) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
PubChem CID110644156
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2ccc(Cl)cc2)CC(Cc2ccccc2)O1
InChIInChI=1S/C20H22ClNO3/c1-15-12-22(13-19(25-15)11-16-5-3-2-4-6-16)20(23)14-24-18-9-7-17(21)8-10-18/h2-10,15,19H,11-14H2,1H3
InChIKeyUBVFOWHYQVWGIV-UHFFFAOYSA-N
XLogP3.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
2-(4-chlorophenoxy)-1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]ethanone;oxalic acid
CID 2913008
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 95138688
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone?
The IUPAC name of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone (CID 110644156) is 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone?
The canonical SMILES for 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone is CC1CN(C(=O)COc2ccc(Cl)cc2)CC(Cc2ccccc2)O1.
What is the InChIKey of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone?
The InChIKey is UBVFOWHYQVWGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-15-12-22(13-19(25-15)11-16-5-3-2-4-6-16)20(23)14-24-18-9-7-17(21)8-10-18/h2-10,15,19H,11-14H2,1H3.
What are the key properties of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone?
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone has a molecular weight of 359.85 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone is sourced from PubChem (CID 110644156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).