(2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone

C15H21NO2 — CID 2961449

IUPAC(2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H21NO2/c1-10-5-11(2)7-14(6-10)15(17)16-8-12(3)18-13(4)9-16/h5-7,12-13H,8-9H2,1-4H3
InChIKeyFLSVENHLGXMUBV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.55
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone

(2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone (PubChem CID 2961449) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone
PubChem CID2961449
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H21NO2/c1-10-5-11(2)7-14(6-10)15(17)16-8-12(3)18-13(4)9-16/h5-7,12-13H,8-9H2,1-4H3
InChIKeyFLSVENHLGXMUBV-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2,6-Dimethylphenyl)acetyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone (CID 2961449) is (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone?
The InChIKey is FLSVENHLGXMUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-5-11(2)7-14(6-10)15(17)16-8-12(3)18-13(4)9-16/h5-7,12-13H,8-9H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone?
(2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 2961449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).