2-benzyl-1-(4-methoxyphenyl)guanidine

C15H17N3O — CID 100672982

IUPAC2-benzyl-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c1-19-14-9-7-13(8-10-14)18-15(16)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,16,17,18)
InChIKeyMZYAFCBQVLUJSE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.62
Rot. Bonds4

About 2-benzyl-1-(4-methoxyphenyl)guanidine

2-benzyl-1-(4-methoxyphenyl)guanidine (PubChem CID 100672982) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-benzyl-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(4-methoxyphenyl)guanidine
PubChem CID100672982
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-benzyl-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c1-19-14-9-7-13(8-10-14)18-15(16)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,16,17,18)
InChIKeyMZYAFCBQVLUJSE-UHFFFAOYSA-N
XLogP2.62
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.62
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-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-benzyl-1-phenylguanidine
CID 12910062
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
methyl 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024008
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059365
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-benzyl-1-(4-methoxyphenyl)guanidine (CID 100672982) is 2-benzyl-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-benzyl-1-(4-methoxyphenyl)guanidine is COc1ccc(N/C(N)=N/Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1-(4-methoxyphenyl)guanidine?
The InChIKey is MZYAFCBQVLUJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-14-9-7-13(8-10-14)18-15(16)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,16,17,18).
What are the key properties of 2-benzyl-1-(4-methoxyphenyl)guanidine?
2-benzyl-1-(4-methoxyphenyl)guanidine has a molecular weight of 255.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 100672982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).