1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine

C11H17N3O — CID 62359144

IUPAC1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1ccccc1COC
InChIInChI=1S/C11H17N3O/c1-13-11(12)14-7-9-5-3-4-6-10(9)8-15-2/h3-6H,7-8H2,1-2H3,(H3,12,13,14)
InChIKeyBAAHVVKJTQHMDG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds4

About 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine

1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine (PubChem CID 62359144) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
PubChem CID62359144
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1ccccc1COC
InChIInChI=1S/C11H17N3O/c1-13-11(12)14-7-9-5-3-4-6-10(9)8-15-2/h3-6H,7-8H2,1-2H3,(H3,12,13,14)
InChIKeyBAAHVVKJTQHMDG-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
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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Related Compounds

1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110979997
1-[(2-chlorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111175183
1-tert-butyl-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110964518
1-[(2-fluorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111265236
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111126308
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948093
1-[(4-chlorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111131943
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342922
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 110915955
ethyl 4-[N-[[2-(methoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164164
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611243

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine (CID 62359144) is 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine is C/N=C(\N)NCc1ccccc1COC.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
The InChIKey is BAAHVVKJTQHMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-11(12)14-7-9-5-3-4-6-10(9)8-15-2/h3-6H,7-8H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine has a molecular weight of 207.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine is sourced from PubChem (CID 62359144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).