2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine

C11H15ClN4O2 — CID 168592621

IUPAC2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cc(Cl)c(C=NN=C(N)N)cc1OC
InChIInChI=1S/C11H15ClN4O2/c1-3-18-10-5-8(12)7(4-9(10)17-2)6-15-16-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,16)
InChIKeyAUDVMPVKYSZRAG-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.35
Rot. Bonds5

About 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine

2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine (PubChem CID 168592621) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine
PubChem CID168592621
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cc(Cl)c(C=NN=C(N)N)cc1OC
InChIInChI=1S/C11H15ClN4O2/c1-3-18-10-5-8(12)7(4-9(10)17-2)6-15-16-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,16)
InChIKeyAUDVMPVKYSZRAG-UHFFFAOYSA-N
XLogP1.35
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.35
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

benzyl N'-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]carbamimidothioate
CID 168612405
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
benzyl N'-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]carbamimidothioate
CID 168613043
1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine
CID 54010609
1,2-bis[(E)-(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrobromide
CID 173454051
1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 70634143
methyl (2E)-2-[(2Z)-2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172925822
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 168533326
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine (CID 168592621) is 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine is CCOc1cc(Cl)c(C=NN=C(N)N)cc1OC.
What is the InChIKey of 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is AUDVMPVKYSZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-3-18-10-5-8(12)7(4-9(10)17-2)6-15-16-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,16).
What are the key properties of 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine?
2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 270.72 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).