2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H15ClN4O — CID 44522071

IUPAC2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C15H15ClN4O/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)
InChIKeyFHFNQFCQKKPWKZ-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.53
Rot. Bonds5

About 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 44522071) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID44522071
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C15H15ClN4O/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)
InChIKeyFHFNQFCQKKPWKZ-UHFFFAOYSA-N
XLogP2.53
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.53
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-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine;dihydroxy(oxo)azanium
CID 126960442
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
CID 7640518
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840868

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 44522071) is 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is FHFNQFCQKKPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/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).
What are the key properties of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 302.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 44522071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).