2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine

C14H12Cl2N4O — CID 57145702

IUPAC2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine
SMILESNN=C(N)N=Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N4O/c15-12-5-4-11(7-13(12)16)21-10-3-1-2-9(6-10)8-19-14(17)20-18/h1-8H,18H2,(H2,17,20)
InChIKeyJHJLESSTQHMQHJ-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.39
Rot. Bonds3

About 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine

2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine (PubChem CID 57145702) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine.

Molecular Properties

Compound Name2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine
PubChem CID57145702
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine
SMILESNN=C(N)N=Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N4O/c15-12-5-4-11(7-13(12)16)21-10-3-1-2-9(6-10)8-19-14(17)20-18/h1-8H,18H2,(H2,17,20)
InChIKeyJHJLESSTQHMQHJ-UHFFFAOYSA-N
XLogP3.39
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

[[3-(3,4-dichlorophenoxy)phenyl]methylideneamino]urea
CID 168533783
(E)-2-cyano-3-[3-(3,4-dichlorophenoxy)phenyl]prop-2-enamide
CID 155552183
[3-(3,5-dichlorophenoxy)phenyl]methylidenehydrazine
CID 168529070
2-(aminomethyl)phenol;3-(3,4-dichlorophenoxy)benzaldehyde
CID 23291705
[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
[3-(4-fluorophenoxy)phenyl]methylidenehydrazine
CID 168530002
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
[[3-(6-chloropyridazin-3-yl)oxyphenyl]methylideneamino]thiourea
CID 168535565
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine
CID 3242741
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691
1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine?
The IUPAC name of 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine (CID 57145702) is 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine.
What is the SMILES notation for 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine?
The canonical SMILES for 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine is NN=C(N)N=Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine?
The InChIKey is JHJLESSTQHMQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-12-5-4-11(7-13(12)16)21-10-3-1-2-9(6-10)8-19-14(17)20-18/h1-8H,18H2,(H2,17,20).
What are the key properties of 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine?
2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine has a molecular weight of 323.18 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[3-(3,4-dichlorophenoxy)phenyl]methylidene]guanidine is sourced from PubChem (CID 57145702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).