2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine

C18H23N3O — CID 111054009

IUPAC2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
SMILESCOCc1cccc(C/N=C(\N)NCCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-22-14-17-9-5-8-16(12-17)13-21-18(19)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H3,19,20,21)
InChIKeyDJMGVULITZQYLL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.48
Rot. Bonds7

About 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine

2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine (PubChem CID 111054009) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
PubChem CID111054009
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
SMILESCOCc1cccc(C/N=C(\N)NCCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-22-14-17-9-5-8-16(12-17)13-21-18(19)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H3,19,20,21)
InChIKeyDJMGVULITZQYLL-UHFFFAOYSA-N
XLogP2.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.48
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-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-(2-phenylethyl)guanidine
CID 111096645
2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111054028
2-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
CID 111808676
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]benzamide
CID 44560999
1-(2-phenylethyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111048038
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111089808
2-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111038496
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111071113
2-[(2-hydroxy-3-methoxyphenyl)methyl]-1-(2-phenylethyl)guanidine
CID 111099940
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-[(dimethylamino)methyl]phenyl]methyl]guanidine
CID 111064448
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199259
2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
CID 111051496

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine (CID 111054009) is 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine is COCc1cccc(C/N=C(\N)NCCc2ccccc2)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
The InChIKey is DJMGVULITZQYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-14-17-9-5-8-16(12-17)13-21-18(19)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H3,19,20,21).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine has a molecular weight of 297.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111054009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).