2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone

C15H21NO2 — CID 4579108

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-6-14(7-5-11)15(17)10-16-8-12(2)18-13(3)9-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyBDJCZXGYZWNOTR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone (PubChem CID 4579108) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
PubChem CID4579108
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-6-14(7-5-11)15(17)10-16-8-12(2)18-13(3)9-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyBDJCZXGYZWNOTR-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-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050428
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051568
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone
CID 102933617
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
1-(4-methylphenyl)-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-2H-imidazol-1-yl]ethanone;hydrobromide
CID 173199117
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82052943

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone (CID 4579108) is 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is BDJCZXGYZWNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-6-14(7-5-11)15(17)10-16-8-12(2)18-13(3)9-16/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(4-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-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 4579108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).