1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine

C16H19N3O2 — CID 56956540

IUPAC1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-20-14-7-3-12(4-8-14)11-18-16(17)19-13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3,(H3,17,18,19)
InChIKeyVJQMQTGBZIQWHH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine

1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine (PubChem CID 56956540) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
PubChem CID56956540
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-20-14-7-3-12(4-8-14)11-18-16(17)19-13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3,(H3,17,18,19)
InChIKeyVJQMQTGBZIQWHH-UHFFFAOYSA-N
XLogP2.63
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]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-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
methyl 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024008
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111052985
2-[(4-chloro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110032873
4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048251
2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111053542

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine (CID 56956540) is 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine is COc1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine?
The InChIKey is VJQMQTGBZIQWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-14-7-3-12(4-8-14)11-18-16(17)19-13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine?
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine has a molecular weight of 285.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 56956540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).