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

C15H21NO2 — CID 17127008

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-14(11)8-15(17)16-9-12(2)18-13(3)10-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyAVBJARZCHSJAGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds2

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

1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone (PubChem CID 17127008) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone
PubChem CID17127008
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-14(11)8-15(17)16-9-12(2)18-13(3)10-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyAVBJARZCHSJAGS-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone (CID 17127008) is 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is AVBJARZCHSJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-4-5-7-14(11)8-15(17)16-9-12(2)18-13(3)10-16/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 17127008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).