2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H14Cl2N4O — CID 168593045

IUPAC2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4O/c16-12-6-5-11(13(17)7-12)9-22-14-4-2-1-3-10(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyIGDMKMVOYJQBJD-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.18
Rot. Bonds5

About 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 168593045) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID168593045
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4O/c16-12-6-5-11(13(17)7-12)9-22-14-4-2-1-3-10(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyIGDMKMVOYJQBJD-UHFFFAOYSA-N
XLogP3.18
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.18
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-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
CID 168592322
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7728533
2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728636
2-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine;dihydroxy(oxo)azanium
CID 126960442
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 6859930
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 168593045) is 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is IGDMKMVOYJQBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-12-6-5-11(13(17)7-12)9-22-14-4-2-1-3-10(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21).
What are the key properties of 2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 337.21 g/mol, XLogP of 3.18, 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-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168593045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).