2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine

C11H16N4O2 — CID 2387794

IUPAC2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
SMILESCCCOc1ccc(C=NN=C(N)N)c(O)c1
InChIInChI=1S/C11H16N4O2/c1-2-5-17-9-4-3-8(10(16)6-9)7-14-15-11(12)13/h3-4,6-7,16H,2,5H2,1H3,(H4,12,13,15)
InChIKeyGMPPTQLKSODCRG-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.79
Rot. Bonds5

About 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine

2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine (PubChem CID 2387794) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
PubChem CID2387794
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
SMILESCCCOc1ccc(C=NN=C(N)N)c(O)c1
InChIInChI=1S/C11H16N4O2/c1-2-5-17-9-4-3-8(10(16)6-9)7-14-15-11(12)13/h3-4,6-7,16H,2,5H2,1H3,(H4,12,13,15)
InChIKeyGMPPTQLKSODCRG-UHFFFAOYSA-N
XLogP0.79
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
2-[(E)-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2,3-dipropoxyphenyl]methylideneamino]guanidine;dihydrochloride
CID 45263357
2-[[2-hydroxy-4-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 168591591
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513
2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135571924
2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
1-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135717529
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine (CID 2387794) is 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine is CCCOc1ccc(C=NN=C(N)N)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine?
The InChIKey is GMPPTQLKSODCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-5-17-9-4-3-8(10(16)6-9)7-14-15-11(12)13/h3-4,6-7,16H,2,5H2,1H3,(H4,12,13,15).
What are the key properties of 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine?
2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine has a molecular weight of 236.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 2387794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).