2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

C16H16Cl2N4O2 — CID 168592321

IUPAC2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N4O2/c1-23-14-4-2-3-10(8-21-22-16(19)20)15(14)24-9-11-5-6-12(17)7-13(11)18/h2-8H,9H2,1H3,(H4,19,20,22)
InChIKeyDKQNBKOBSRCVSW-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.19
Rot. Bonds6

About 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (PubChem CID 168592321) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
PubChem CID168592321
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N4O2/c1-23-14-4-2-3-10(8-21-22-16(19)20)15(14)24-9-11-5-6-12(17)7-13(11)18/h2-8H,9H2,1H3,(H4,19,20,22)
InChIKeyDKQNBKOBSRCVSW-UHFFFAOYSA-N
XLogP3.19
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline
CID 5032689
3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20993958
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126040621
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 98103649
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590615
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 51061972

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (CID 168592321) is 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is COc1cccc(C=NN=C(N)N)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The InChIKey is DKQNBKOBSRCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c1-23-14-4-2-3-10(8-21-22-16(19)20)15(14)24-9-11-5-6-12(17)7-13(11)18/h2-8H,9H2,1H3,(H4,19,20,22).
What are the key properties of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine has a molecular weight of 367.24 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).