1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

C15H21NO2 — CID 2905109

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)CC(C)O1
InChIInChI=1S/C15H21NO2/c1-12-10-16(11-13(2)18-12)15(17)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyUMVAVRMPPPMAQU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (PubChem CID 2905109) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
PubChem CID2905109
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)CC(C)O1
InChIInChI=1S/C15H21NO2/c1-12-10-16(11-13(2)18-12)15(17)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyUMVAVRMPPPMAQU-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (CID 2905109) is 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one is CC1CN(C(=O)CCc2ccccc2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The InChIKey is UMVAVRMPPPMAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-10-16(11-13(2)18-12)15(17)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.26, 3 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)-3-phenylpropan-1-one is sourced from PubChem (CID 2905109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).