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

C21H25FN2O2 — CID 60500482

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone
SMILESCC(c1ccccc1)N(C)CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2O2/c1-16(17-6-4-3-5-7-17)23(2)15-21(25)24-12-13-26-20(14-24)18-8-10-19(22)11-9-18/h3-11,16,20H,12-15H2,1-2H3
InChIKeyPBUPZBAENPYHAA-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.42
Rot. Bonds5

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

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone (PubChem CID 60500482) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone
PubChem CID60500482
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone
SMILESCC(c1ccccc1)N(C)CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2O2/c1-16(17-6-4-3-5-7-17)23(2)15-21(25)24-12-13-26-20(14-24)18-8-10-19(22)11-9-18/h3-11,16,20H,12-15H2,1-2H3
InChIKeyPBUPZBAENPYHAA-UHFFFAOYSA-N
XLogP3.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 60506939
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide
CID 46579437
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
N-cyclopropyl-2-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-methylamino]acetamide
CID 87014183
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone (CID 60500482) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone is CC(c1ccccc1)N(C)CC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone?
The InChIKey is PBUPZBAENPYHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16(17-6-4-3-5-7-17)23(2)15-21(25)24-12-13-26-20(14-24)18-8-10-19(22)11-9-18/h3-11,16,20H,12-15H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone?
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone has a molecular weight of 356.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone is sourced from PubChem (CID 60500482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).