2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one

C15H21NO2 — CID 43796467

IUPAC2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
SMILESCC1CN(C(C)C(=O)c2ccccc2)C(C)CO1
InChIInChI=1S/C15H21NO2/c1-11-10-18-12(2)9-16(11)13(3)15(17)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3
InChIKeyDHZHNGIHOWIQKM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds3

About 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one

2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one (PubChem CID 43796467) 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-phenylpropan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
PubChem CID43796467
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
SMILESCC1CN(C(C)C(=O)c2ccccc2)C(C)CO1
InChIInChI=1S/C15H21NO2/c1-11-10-18-12(2)9-16(11)13(3)15(17)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3
InChIKeyDHZHNGIHOWIQKM-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one (CID 43796467) is 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one is CC1CN(C(C)C(=O)c2ccccc2)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one?
The InChIKey is DHZHNGIHOWIQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-10-18-12(2)9-16(11)13(3)15(17)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one?
2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.37, 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-phenylpropan-1-one is sourced from PubChem (CID 43796467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).