1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine

C11H18N4O — CID 64866027

IUPAC1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine
SMILESCCOCc1ccccc1C/N=C(\N)NN
InChIInChI=1S/C11H18N4O/c1-2-16-8-10-6-4-3-5-9(10)7-14-11(12)15-13/h3-6H,2,7-8,13H2,1H3,(H3,12,14,15)
InChIKeyIPQSHBIHMRLISF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.50
Rot. Bonds5

About 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine

1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine (PubChem CID 64866027) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine
PubChem CID64866027
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine
SMILESCCOCc1ccccc1C/N=C(\N)NN
InChIInChI=1S/C11H18N4O/c1-2-16-8-10-6-4-3-5-9(10)7-14-11(12)15-13/h3-6H,2,7-8,13H2,1H3,(H3,12,14,15)
InChIKeyIPQSHBIHMRLISF-UHFFFAOYSA-N
XLogP0.50
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}

Analyze 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]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 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine (CID 64866027) is 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine is CCOCc1ccccc1C/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
The InChIKey is IPQSHBIHMRLISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-16-8-10-6-4-3-5-9(10)7-14-11(12)15-13/h3-6H,2,7-8,13H2,1H3,(H3,12,14,15).
What are the key properties of 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine has a molecular weight of 222.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 64866027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).