1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone

C19H21NO3 — CID 47914743

IUPAC1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
SMILESCC1CN(C(=O)COc2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-15-12-20(13-18(23-15)16-8-4-2-5-9-16)19(21)14-22-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3
InChIKeyQZTCPGKCXVFYKY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.05
Rot. Bonds4

About 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone

1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone (PubChem CID 47914743) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
PubChem CID47914743
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
SMILESCC1CN(C(=O)COc2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-15-12-20(13-18(23-15)16-8-4-2-5-9-16)19(21)14-22-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3
InChIKeyQZTCPGKCXVFYKY-UHFFFAOYSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 95138688
1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 47914947
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 754225
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone?
The IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone (CID 47914743) is 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone is CC1CN(C(=O)COc2ccccc2)CC(c2ccccc2)O1.
What is the InChIKey of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone?
The InChIKey is QZTCPGKCXVFYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15-12-20(13-18(23-15)16-8-4-2-5-9-16)19(21)14-22-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3.
What are the key properties of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone?
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone has a molecular weight of 311.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone is sourced from PubChem (CID 47914743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).