2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile

C16H17FN4O — CID 7481681

IUPAC2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile
SMILESN#CC(C#N)/C=N/C[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H17FN4O/c17-15-3-1-14(2-4-15)16(21-5-7-22-8-6-21)12-20-11-13(9-18)10-19/h1-4,11,13,16H,5-8,12H2/b20-11+/t16-/m0/s1
InChIKeyFDOLXENLZBZMLW-YODDIOPGSA-N
MW300.34 g/mol
LogP1.93
Rot. Bonds5

About 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile

2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile (PubChem CID 7481681) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile.

Molecular Properties

Compound Name2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile
PubChem CID7481681
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile
SMILESN#CC(C#N)/C=N/C[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H17FN4O/c17-15-3-1-14(2-4-15)16(21-5-7-22-8-6-21)12-20-11-13(9-18)10-19/h1-4,11,13,16H,5-8,12H2/b20-11+/t16-/m0/s1
InChIKeyFDOLXENLZBZMLW-YODDIOPGSA-N
XLogP1.93
TPSA72.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
3-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,1-dimethylguanidine
CID 111311774
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306546
3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 94182908
1-tert-butyl-3-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110966215
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111312025
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178386
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)guanidine
CID 110978529
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028054

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile?
The IUPAC name of 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile (CID 7481681) is 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile.
What is the SMILES notation for 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile?
The canonical SMILES for 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile is N#CC(C#N)/C=N/C[C@@H](c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile?
The InChIKey is FDOLXENLZBZMLW-YODDIOPGSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-15-3-1-14(2-4-15)16(21-5-7-22-8-6-21)12-20-11-13(9-18)10-19/h1-4,11,13,16H,5-8,12H2/b20-11+/t16-/m0/s1.
What are the key properties of 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile?
2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile has a molecular weight of 300.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile is sourced from PubChem (CID 7481681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).