4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one

C11H13FN2O2 — CID 79467850

IUPAC4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one
SMILESNc1cccc(F)c1CN1CCOCC1=O
InChIInChI=1S/C11H13FN2O2/c12-9-2-1-3-10(13)8(9)6-14-4-5-16-7-11(14)15/h1-3H,4-7,13H2
InChIKeyFWOMBKIPCJYNFT-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.77
Rot. Bonds2

About 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one

4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one (PubChem CID 79467850) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one
PubChem CID79467850
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one
SMILESNc1cccc(F)c1CN1CCOCC1=O
InChIInChI=1S/C11H13FN2O2/c12-9-2-1-3-10(13)8(9)6-14-4-5-16-7-11(14)15/h1-3H,4-7,13H2
InChIKeyFWOMBKIPCJYNFT-UHFFFAOYSA-N
XLogP0.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-6-chlorophenyl)methyl]morpholin-3-one
CID 79468371
1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
CID 63330941
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
CID 107113912
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
CID 79468522
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione
CID 63331074
4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
2-fluoro-5-[(3-oxomorpholin-4-yl)methyl]benzenecarbothioamide
CID 107879708
4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one
CID 79469209
4-[(4-amino-2-bromophenyl)methyl]morpholin-3-one
CID 79469480
5-[(3-oxomorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 79468557

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one?
The IUPAC name of 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one (CID 79467850) is 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one is Nc1cccc(F)c1CN1CCOCC1=O.
What is the InChIKey of 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one?
The InChIKey is FWOMBKIPCJYNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-9-2-1-3-10(13)8(9)6-14-4-5-16-7-11(14)15/h1-3H,4-7,13H2.
What are the key properties of 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one?
4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one has a molecular weight of 224.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one is sourced from PubChem (CID 79467850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).