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

C21H22IN3O2 — CID 111063263

IUPAC1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2ccc(Oc3ccccc3)cc2)c1.I
InChIInChI=1S/C21H21N3O2.HI/c1-25-20-9-5-6-17(14-20)24-21(22)23-15-16-10-12-19(13-11-16)26-18-7-3-2-4-8-18;/h2-14H,15H2,1H3,(H3,22,23,24);1H
InChIKeyFOQIZZYCHNLYCR-UHFFFAOYSA-N
MW475.33 g/mol
LogP5.03
Rot. Bonds6

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

1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 111063263) has the molecular formula C21H22IN3O2 and a molecular weight of 475.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
PubChem CID111063263
Molecular FormulaC21H22IN3O2
Molecular Weight475.33 g/mol
Exact Mass475.08
IUPAC Name1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2ccc(Oc3ccccc3)cc2)c1.I
InChIInChI=1S/C21H21N3O2.HI/c1-25-20-9-5-6-17(14-20)24-21(22)23-15-16-10-12-19(13-11-16)26-18-7-3-2-4-8-18;/h2-14H,15H2,1H3,(H3,22,23,24);1H
InChIKeyFOQIZZYCHNLYCR-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-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
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-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
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-[(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-[(4-cyanophenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111052279
1-(3-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide (CID 111063263) is 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide is COc1cccc(N/C(N)=N/Cc2ccc(Oc3ccccc3)cc2)c1.I.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is FOQIZZYCHNLYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.HI/c1-25-20-9-5-6-17(14-20)24-21(22)23-15-16-10-12-19(13-11-16)26-18-7-3-2-4-8-18;/h2-14H,15H2,1H3,(H3,22,23,24);1H.
What are the key properties of 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide?
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]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 1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111063263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).