2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine

C11H16N4O2 — CID 2716681

IUPAC2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cc(C=NN=C(N)N)ccc1OC
InChIInChI=1S/C11H16N4O2/c1-3-17-10-6-8(4-5-9(10)16-2)7-14-15-11(12)13/h4-7H,3H2,1-2H3,(H4,12,13,15)
InChIKeyIVDDRZAZZGSXPM-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.70
Rot. Bonds5

About 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine

2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine (PubChem CID 2716681) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
PubChem CID2716681
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cc(C=NN=C(N)N)ccc1OC
InChIInChI=1S/C11H16N4O2/c1-3-17-10-6-8(4-5-9(10)16-2)7-14-15-11(12)13/h4-7H,3H2,1-2H3,(H4,12,13,15)
InChIKeyIVDDRZAZZGSXPM-UHFFFAOYSA-N
XLogP0.70
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.70
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-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
CID 168590620
2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-ethoxyphenoxy]propanoic acid
CID 168592580
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
methyl N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamimidothioate;hydroiodide
CID 172988173
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
benzyl N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]carbamimidothioate
CID 168610950
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine (CID 2716681) is 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine is CCOc1cc(C=NN=C(N)N)ccc1OC.
What is the InChIKey of 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is IVDDRZAZZGSXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-17-10-6-8(4-5-9(10)16-2)7-14-15-11(12)13/h4-7H,3H2,1-2H3,(H4,12,13,15).
What are the key properties of 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine?
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 236.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 2716681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).