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

C11H17N3O — CID 62358972

IUPAC2-[[2-(ethoxymethyl)phenyl]methyl]guanidine
SMILESCCOCc1ccccc1CN=C(N)N
InChIInChI=1S/C11H17N3O/c1-2-15-8-10-6-4-3-5-9(10)7-14-11(12)13/h3-6H,2,7-8H2,1H3,(H4,12,13,14)
InChIKeyPXXAKBQVNQSNQA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds5

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

2-[[2-(ethoxymethyl)phenyl]methyl]guanidine (PubChem CID 62358972) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-(ethoxymethyl)phenyl]methyl]guanidine
PubChem CID62358972
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[[2-(ethoxymethyl)phenyl]methyl]guanidine
SMILESCCOCc1ccccc1CN=C(N)N
InChIInChI=1S/C11H17N3O/c1-2-15-8-10-6-4-3-5-9(10)7-14-11(12)13/h3-6H,2,7-8H2,1H3,(H4,12,13,14)
InChIKeyPXXAKBQVNQSNQA-UHFFFAOYSA-N
XLogP1.00
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine (CID 62358972) is 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine is CCOCc1ccccc1CN=C(N)N.
What is the InChIKey of 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
The InChIKey is PXXAKBQVNQSNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-15-8-10-6-4-3-5-9(10)7-14-11(12)13/h3-6H,2,7-8H2,1H3,(H4,12,13,14).
What are the key properties of 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine?
2-[[2-(ethoxymethyl)phenyl]methyl]guanidine has a molecular weight of 207.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethoxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 62358972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).