2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine

C15H14F2N4O — CID 168590822

IUPAC2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C15H14F2N4O/c16-12-5-6-14(13(17)7-12)22-9-11-4-2-1-3-10(11)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyWBVSUPOGAKFRJU-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.15
Rot. Bonds5

About 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine

2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine (PubChem CID 168590822) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
PubChem CID168590822
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C15H14F2N4O/c16-12-5-6-14(13(17)7-12)22-9-11-4-2-1-3-10(11)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyWBVSUPOGAKFRJU-UHFFFAOYSA-N
XLogP2.15
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.15
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-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
CID 168590701
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
2-[(2,4-difluorophenoxy)methyl]benzaldehyde
CID 87366498
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591297
benzyl N'-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methylideneamino]carbamimidothioate
CID 168611644
2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine (CID 168590822) is 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1COc1ccc(F)cc1F.
What is the InChIKey of 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine?
The InChIKey is WBVSUPOGAKFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-12-5-6-14(13(17)7-12)22-9-11-4-2-1-3-10(11)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21).
What are the key properties of 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine?
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine has a molecular weight of 304.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).