2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

C19H19FN2O3 — CID 5173161

IUPAC2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1)N1CCOCC1
InChIInChI=1S/C19H19FN2O3/c20-16-3-5-17(6-4-16)21-13-15-1-7-18(8-2-15)25-14-19(23)22-9-11-24-12-10-22/h1-8,13H,9-12,14H2/b21-13+
InChIKeyDANXQNSTXUJFSB-FYJGNVAPSA-N
MW342.37 g/mol
LogP2.81
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 5173161) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID5173161
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1)N1CCOCC1
InChIInChI=1S/C19H19FN2O3/c20-16-3-5-17(6-4-16)21-13-15-1-7-18(8-2-15)25-14-19(23)22-9-11-24-12-10-22/h1-8,13H,9-12,14H2/b21-13+
InChIKeyDANXQNSTXUJFSB-FYJGNVAPSA-N
XLogP2.81
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299
2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126243345
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
(5E)-3-[(4-fluorophenyl)methyl]-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124663893
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 5173161) is 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is O=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1)N1CCOCC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is DANXQNSTXUJFSB-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-3-5-17(6-4-16)21-13-15-1-7-18(8-2-15)25-14-19(23)22-9-11-24-12-10-22/h1-8,13H,9-12,14H2/b21-13+.
What are the key properties of 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 342.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 5173161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).