1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone

C15H21NO2 — CID 110706995

IUPAC1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CC(CCc2ccccc2)OCC1C
InChIInChI=1S/C15H21NO2/c1-12-11-18-15(10-16(12)13(2)17)9-8-14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3
InChIKeyRDQCBUHEYCBBOZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds3

About 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone

1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone (PubChem CID 110706995) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone
PubChem CID110706995
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CC(CCc2ccccc2)OCC1C
InChIInChI=1S/C15H21NO2/c1-12-11-18-15(10-16(12)13(2)17)9-8-14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3
InChIKeyRDQCBUHEYCBBOZ-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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone (CID 110706995) is 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone is CC(=O)N1CC(CCc2ccccc2)OCC1C.
What is the InChIKey of 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone?
The InChIKey is RDQCBUHEYCBBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-11-18-15(10-16(12)13(2)17)9-8-14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone?
1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone 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-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110706995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).