2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine

C9H13N3O2 — CID 62483741

IUPAC2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
SMILESCOc1ccccc1N(C)/C(N)=N/O
InChIInChI=1S/C9H13N3O2/c1-12(9(10)11-13)7-5-3-4-6-8(7)14-2/h3-6,13H,1-2H3,(H2,10,11)
InChIKeyUAGGKZOLDOKNDB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.84
Rot. Bonds2

About 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine

2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine (PubChem CID 62483741) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine.

Molecular Properties

Compound Name2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
PubChem CID62483741
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
SMILESCOc1ccccc1N(C)/C(N)=N/O
InChIInChI=1S/C9H13N3O2/c1-12(9(10)11-13)7-5-3-4-6-8(7)14-2/h3-6,13H,1-2H3,(H2,10,11)
InChIKeyUAGGKZOLDOKNDB-UHFFFAOYSA-N
XLogP0.84
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine?
The IUPAC name of 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine (CID 62483741) is 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine.
What is the SMILES notation for 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine?
The canonical SMILES for 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine is COc1ccccc1N(C)/C(N)=N/O.
What is the InChIKey of 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine?
The InChIKey is UAGGKZOLDOKNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12(9(10)11-13)7-5-3-4-6-8(7)14-2/h3-6,13H,1-2H3,(H2,10,11).
What are the key properties of 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine?
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine has a molecular weight of 195.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine is sourced from PubChem (CID 62483741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).