2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H15FN4O — CID 97312635

IUPAC2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccccc1OCc1ccccc1F
InChIInChI=1S/C15H15FN4O/c16-13-7-3-1-6-12(13)10-21-14-8-4-2-5-11(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKeyVHLALHGNRYCUGP-DJKKODMXSA-N
MW286.31 g/mol
LogP2.01
Rot. Bonds5

About 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 97312635) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID97312635
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccccc1OCc1ccccc1F
InChIInChI=1S/C15H15FN4O/c16-13-7-3-1-6-12(13)10-21-14-8-4-2-5-11(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKeyVHLALHGNRYCUGP-DJKKODMXSA-N
XLogP2.01
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
benzyl N'-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methylideneamino]carbamimidothioate
CID 168611644
N-(2,3-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126221634
1,1,2,2,3,3,3-heptafluoro-N-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]propan-1-amine
CID 126049446

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 97312635) is 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1ccccc1OCc1ccccc1F.
What is the InChIKey of 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is VHLALHGNRYCUGP-DJKKODMXSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-13-7-3-1-6-12(13)10-21-14-8-4-2-5-11(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+.
What are the key properties of 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 286.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 97312635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).