2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one

C15H21FN2O2 — CID 81347605

IUPAC2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-11(13-3-5-14(16)6-4-13)17-12(2)15(19)18-7-9-20-10-8-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyYMTKEFOPVAHVDC-PXYINDEMSA-N
MW280.34 g/mol
LogP1.72
Rot. Bonds4

About 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 81347605) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID81347605
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-11(13-3-5-14(16)6-4-13)17-12(2)15(19)18-7-9-20-10-8-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyYMTKEFOPVAHVDC-PXYINDEMSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115588993
N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025310
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
CID 84588764
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
(2S)-1-(4-acetylpiperazin-1-yl)-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]propan-1-one
CID 129370471

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one (CID 81347605) is 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one is CC(N[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YMTKEFOPVAHVDC-PXYINDEMSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(13-3-5-14(16)6-4-13)17-12(2)15(19)18-7-9-20-10-8-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 81347605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).