1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine

C18H23N3O — CID 110952404

IUPAC1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1)NCc1cccc(COC)c1
InChIInChI=1S/C18H23N3O/c1-19-18(20-12-15-7-4-3-5-8-15)21-13-16-9-6-10-17(11-16)14-22-2/h3-11H,12-14H2,1-2H3,(H2,19,20,21)
InChIKeyFZSLDRQIWIOSAZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.70
Rot. Bonds6

About 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine

1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine (PubChem CID 110952404) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine
PubChem CID110952404
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1)NCc1cccc(COC)c1
InChIInChI=1S/C18H23N3O/c1-19-18(20-12-15-7-4-3-5-8-15)21-13-16-9-6-10-17(11-16)14-22-2/h3-11H,12-14H2,1-2H3,(H2,19,20,21)
InChIKeyFZSLDRQIWIOSAZ-UHFFFAOYSA-N
XLogP2.70
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.70
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-benzyl-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110952393
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179860
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967928
1-[(3-chlorophenyl)methyl]-3-[[4-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111176994
1-(2-ethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111891847
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948013
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000593
1-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111605662
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111181806
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857914
1-(3-methoxypropyl)-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110973519
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111848309

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
The IUPAC name of 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine (CID 110952404) is 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine is C/N=C(\NCc1ccccc1)NCc1cccc(COC)c1.
What is the InChIKey of 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
The InChIKey is FZSLDRQIWIOSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-19-18(20-12-15-7-4-3-5-8-15)21-13-16-9-6-10-17(11-16)14-22-2/h3-11H,12-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine?
1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine has a molecular weight of 297.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine is sourced from PubChem (CID 110952404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).