2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine

C11H16N4O2 — CID 168590500

IUPAC2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
SMILESCOc1c(C)c(C)cc(C=NN=C(N)N)c1O
InChIInChI=1S/C11H16N4O2/c1-6-4-8(5-14-15-11(12)13)9(16)10(17-3)7(6)2/h4-5,16H,1-3H3,(H4,12,13,15)
InChIKeyDZHCEMCXZOHKSU-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.62
Rot. Bonds3

About 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine

2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine (PubChem CID 168590500) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
PubChem CID168590500
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
SMILESCOc1c(C)c(C)cc(C=NN=C(N)N)c1O
InChIInChI=1S/C11H16N4O2/c1-6-4-8(5-14-15-11(12)13)9(16)10(17-3)7(6)2/h4-5,16H,1-3H3,(H4,12,13,15)
InChIKeyDZHCEMCXZOHKSU-UHFFFAOYSA-N
XLogP0.62
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.62
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

2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
CID 9057981
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-3,4-dimethylphenol
CID 168626439
2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
CID 66842140
2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
CID 168591738
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine
CID 168591270
2-[(3-bromo-2-hydroxy-4-methyl-5-nitrophenyl)methylideneamino]guanidine
CID 168590516
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine (CID 168590500) is 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine is COc1c(C)c(C)cc(C=NN=C(N)N)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine?
The InChIKey is DZHCEMCXZOHKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6-4-8(5-14-15-11(12)13)9(16)10(17-3)7(6)2/h4-5,16H,1-3H3,(H4,12,13,15).
What are the key properties of 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine?
2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine has a molecular weight of 236.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168590500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).