2-[2-(methoxymethyl)phenyl]guanidine

C9H13N3O — CID 57255655

IUPAC2-[2-(methoxymethyl)phenyl]guanidine
SMILESCOCc1ccccc1N=C(N)N
InChIInChI=1S/C9H13N3O/c1-13-6-7-4-2-3-5-8(7)12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)
InChIKeyPFNPFQOQSURYOQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.74
Rot. Bonds3

About 2-[2-(methoxymethyl)phenyl]guanidine

2-[2-(methoxymethyl)phenyl]guanidine (PubChem CID 57255655) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]guanidine
PubChem CID57255655
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-[2-(methoxymethyl)phenyl]guanidine
SMILESCOCc1ccccc1N=C(N)N
InChIInChI=1S/C9H13N3O/c1-13-6-7-4-2-3-5-8(7)12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)
InChIKeyPFNPFQOQSURYOQ-UHFFFAOYSA-N
XLogP0.74
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-(methoxymethyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]guanidine?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]guanidine (CID 57255655) is 2-[2-(methoxymethyl)phenyl]guanidine.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]guanidine?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]guanidine is COCc1ccccc1N=C(N)N.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]guanidine?
The InChIKey is PFNPFQOQSURYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-6-7-4-2-3-5-8(7)12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12).
What are the key properties of 2-[2-(methoxymethyl)phenyl]guanidine?
2-[2-(methoxymethyl)phenyl]guanidine has a molecular weight of 179.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]guanidine is sourced from PubChem (CID 57255655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).