2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone

C15H21NO2 — CID 43797387

IUPAC2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO2/c1-12-6-4-5-7-13(12)14(17)10-16-8-9-18-15(2,3)11-16/h4-7H,8-11H2,1-3H3
InChIKeyZUEMRVVCYVPZNA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds3

About 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone

2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone (PubChem CID 43797387) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
PubChem CID43797387
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO2/c1-12-6-4-5-7-13(12)14(17)10-16-8-9-18-15(2,3)11-16/h4-7H,8-11H2,1-3H3
InChIKeyZUEMRVVCYVPZNA-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43797424
1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797360
N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 106319127
1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797361
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
N-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592397
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
2-(2,2-dimethylmorpholin-4-yl)benzoic acid
CID 43592982
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone (CID 43797387) is 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CN1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone?
The InChIKey is ZUEMRVVCYVPZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-6-4-5-7-13(12)14(17)10-16-8-9-18-15(2,3)11-16/h4-7H,8-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone?
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 43797387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).