3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one

C14H18F2N2O2 — CID 115618229

IUPAC3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNCc1cccc(F)c1F)N1CCOCC1
InChIInChI=1S/C14H18F2N2O2/c15-12-3-1-2-11(14(12)16)10-17-5-4-13(19)18-6-8-20-9-7-18/h1-3,17H,4-10H2
InChIKeyXTSBSYXKAONRII-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.30
Rot. Bonds5

About 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one

3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115618229) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115618229
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNCc1cccc(F)c1F)N1CCOCC1
InChIInChI=1S/C14H18F2N2O2/c15-12-3-1-2-11(14(12)16)10-17-5-4-13(19)18-6-8-20-9-7-18/h1-3,17H,4-10H2
InChIKeyXTSBSYXKAONRII-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585099
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 115750353
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115603112
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019284
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
3-[(3-chloro-4-methylphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106817088
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045
2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
CID 103262999
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115618229) is 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one is O=C(CCNCc1cccc(F)c1F)N1CCOCC1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is XTSBSYXKAONRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-12-3-1-2-11(14(12)16)10-17-5-4-13(19)18-6-8-20-9-7-18/h1-3,17H,4-10H2.
What are the key properties of 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 284.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115618229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).