2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone

C15H21NO2 — CID 43796502

IUPAC2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN2CC(C)OCC2C)c1
InChIInChI=1S/C15H21NO2/c1-11-5-4-6-14(7-11)15(17)9-16-8-13(3)18-10-12(16)2/h4-7,12-13H,8-10H2,1-3H3
InChIKeyJTNSVYAJYMPAHL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds3

About 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone

2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone (PubChem CID 43796502) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone
PubChem CID43796502
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN2CC(C)OCC2C)c1
InChIInChI=1S/C15H21NO2/c1-11-5-4-6-14(7-11)15(17)9-16-8-13(3)18-10-12(16)2/h4-7,12-13H,8-10H2,1-3H3
InChIKeyJTNSVYAJYMPAHL-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-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43796516
2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 134007332
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43796459
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
1-(3-bromophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81204177
2-(2,5-dimethylmorpholin-4-yl)-N-(2,6-dimethylphenyl)acetamide
CID 86928374
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43796472
methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
CID 134007278
2-(2,5-dimethylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 134007228
N-(3-aminophenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544225
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(3-methylphenyl)methanone
CID 110369456

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone (CID 43796502) is 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CN2CC(C)OCC2C)c1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone?
The InChIKey is JTNSVYAJYMPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-4-6-14(7-11)15(17)9-16-8-13(3)18-10-12(16)2/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone?
2-(2,5-dimethylmorpholin-4-yl)-1-(3-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-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 43796502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).