2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine

C13H18FN5O — CID 9017503

IUPAC2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FN5O/c1-9(17-18-13(15)16)10-2-3-12(11(14)8-10)19-4-6-20-7-5-19/h2-3,8H,4-7H2,1H3,(H4,15,16,18)/b17-9-
InChIKeyWYIOLKVUDJGFMY-MFOYZWKCSA-N
MW279.32 g/mol
LogP0.66
Rot. Bonds3

About 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine

2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine (PubChem CID 9017503) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine
PubChem CID9017503
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC Name2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FN5O/c1-9(17-18-13(15)16)10-2-3-12(11(14)8-10)19-4-6-20-7-5-19/h2-3,8H,4-7H2,1H3,(H4,15,16,18)/b17-9-
InChIKeyWYIOLKVUDJGFMY-MFOYZWKCSA-N
XLogP0.66
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine (CID 9017503) is 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine?
The InChIKey is WYIOLKVUDJGFMY-MFOYZWKCSA-N. The full InChI is InChI=1S/C13H18FN5O/c1-9(17-18-13(15)16)10-2-3-12(11(14)8-10)19-4-6-20-7-5-19/h2-3,8H,4-7H2,1H3,(H4,15,16,18)/b17-9-.
What are the key properties of 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine?
2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine has a molecular weight of 279.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 9017503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).