2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide

C21H22IN3O2 — CID 111117542

IUPAC2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCOc1ccccc1Oc1ccc(C/N=C(\N)Nc2ccccc2)cc1.I
InChIInChI=1S/C21H21N3O2.HI/c1-25-19-9-5-6-10-20(19)26-18-13-11-16(12-14-18)15-23-21(22)24-17-7-3-2-4-8-17;/h2-14H,15H2,1H3,(H3,22,23,24);1H
InChIKeyQKZQYDUGEFGGPT-UHFFFAOYSA-N
MW475.33 g/mol
LogP5.03
Rot. Bonds6

About 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide

2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 111117542) has the molecular formula C21H22IN3O2 and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID111117542
Molecular FormulaC21H22IN3O2
Molecular Weight475.33 g/mol
Exact Mass475.08
IUPAC Name2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCOc1ccccc1Oc1ccc(C/N=C(\N)Nc2ccccc2)cc1.I
InChIInChI=1S/C21H21N3O2.HI/c1-25-19-9-5-6-10-20(19)26-18-13-11-16(12-14-18)15-23-21(22)24-17-7-3-2-4-8-17;/h2-14H,15H2,1H3,(H3,22,23,24);1H
InChIKeyQKZQYDUGEFGGPT-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'}

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Related Compounds

2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111808571
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572
1-(3,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808554
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-butyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111808577
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-benzyl-1-phenylguanidine
CID 12910062
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110924612

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide (CID 111117542) is 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide is COc1ccccc1Oc1ccc(C/N=C(\N)Nc2ccccc2)cc1.I.
What is the InChIKey of 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is QKZQYDUGEFGGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.HI/c1-25-19-9-5-6-10-20(19)26-18-13-11-16(12-14-18)15-23-21(22)24-17-7-3-2-4-8-17;/h2-14H,15H2,1H3,(H3,22,23,24);1H.
What are the key properties of 2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide?
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;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-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111117542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).