2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide

C21H22IN3O2 — CID 111597475

IUPAC2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccc(C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)cc1.I
InChIInChI=1S/C21H21N3O2.HI/c1-25-18-12-10-16(11-13-18)15-23-21(22)24-17-6-5-9-20(14-17)26-19-7-3-2-4-8-19;/h2-14H,15H2,1H3,(H3,22,23,24);1H
InChIKeyWMZAMLKGEGEPFM-UHFFFAOYSA-N
MW475.33 g/mol
LogP5.03
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide

2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide (PubChem CID 111597475) has the molecular formula C21H22IN3O2 and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
PubChem CID111597475
Molecular FormulaC21H22IN3O2
Molecular Weight475.33 g/mol
Exact Mass475.08
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccc(C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)cc1.I
InChIInChI=1S/C21H21N3O2.HI/c1-25-18-12-10-16(11-13-18)15-23-21(22)24-17-6-5-9-20(14-17)26-19-7-3-2-4-8-19;/h2-14H,15H2,1H3,(H3,22,23,24);1H
InChIKeyWMZAMLKGEGEPFM-UHFFFAOYSA-N
XLogP5.03
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.33
LogP ≤ 55.03
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide 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

1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111808571
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597801
methyl N-[4-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]carbamate
CID 111599050
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111813337
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111599646
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
1-(3-phenoxyphenyl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111598509

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide (CID 111597475) is 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide is COc1ccc(C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)cc1.I.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The InChIKey is WMZAMLKGEGEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.HI/c1-25-18-12-10-16(11-13-18)15-23-21(22)24-17-6-5-9-20(14-17)26-19-7-3-2-4-8-19;/h2-14H,15H2,1H3,(H3,22,23,24);1H.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide has a molecular weight of 475.33 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111597475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).