2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine

C15H16N4O — CID 168591467

IUPAC2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1COc1ccccc1
InChIInChI=1S/C15H16N4O/c16-15(17)19-18-10-12-6-4-5-7-13(12)11-20-14-8-2-1-3-9-14/h1-10H,11H2,(H4,16,17,19)
InChIKeyYTXCTFXSORPSLX-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.87
Rot. Bonds5

About 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine

2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine (PubChem CID 168591467) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
PubChem CID168591467
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1COc1ccccc1
InChIInChI=1S/C15H16N4O/c16-15(17)19-18-10-12-6-4-5-7-13(12)11-20-14-8-2-1-3-9-14/h1-10H,11H2,(H4,16,17,19)
InChIKeyYTXCTFXSORPSLX-UHFFFAOYSA-N
XLogP1.87
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.87
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-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine
CID 168590766
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
[[2-[(4-fluorophenoxy)methyl]phenyl]methylideneamino]thiourea
CID 168534550
2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine
CID 168590834
2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
CID 74184183

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine (CID 168591467) is 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1COc1ccccc1.
What is the InChIKey of 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine?
The InChIKey is YTXCTFXSORPSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-15(17)19-18-10-12-6-4-5-7-13(12)11-20-14-8-2-1-3-9-14/h1-10H,11H2,(H4,16,17,19).
What are the key properties of 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine?
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine has a molecular weight of 268.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).