2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one

C15H20F2N2O2 — CID 115588993

IUPAC2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1c(F)cccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C15H20F2N2O2/c1-10(14-12(16)4-3-5-13(14)17)18-11(2)15(20)19-6-8-21-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyQERXWSIPKQVSDU-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one

2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115588993) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115588993
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1c(F)cccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C15H20F2N2O2/c1-10(14-12(16)4-3-5-13(14)17)18-11(2)15(20)19-6-8-21-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyQERXWSIPKQVSDU-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81383364
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 78961595
2-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 167826213
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 115588993) is 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is CC(NC(C)c1c(F)cccc1F)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is QERXWSIPKQVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(14-12(16)4-3-5-13(14)17)18-11(2)15(20)19-6-8-21-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 298.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115588993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).