1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide

C23H26IN3O2 — CID 111072148

IUPAC1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCc2ccc(OCc3ccccc3)cc2)cc1.I
InChIInChI=1S/C23H25N3O2.HI/c1-27-21-13-9-20(10-14-21)26-23(24)25-16-15-18-7-11-22(12-8-18)28-17-19-5-3-2-4-6-19;/h2-14H,15-17H2,1H3,(H3,24,25,26);1H
InChIKeyJCQMSVTVARNOQH-UHFFFAOYSA-N
MW503.38 g/mol
LogP4.86
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide

1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111072148) has the molecular formula C23H26IN3O2 and a molecular weight of 503.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID111072148
Molecular FormulaC23H26IN3O2
Molecular Weight503.38 g/mol
Exact Mass503.11
IUPAC Name1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCc2ccc(OCc3ccccc3)cc2)cc1.I
InChIInChI=1S/C23H25N3O2.HI/c1-27-21-13-9-20(10-14-21)26-23(24)25-16-15-18-7-11-22(12-8-18)28-17-19-5-3-2-4-6-19;/h2-14H,15-17H2,1H3,(H3,24,25,26);1H
InChIKeyJCQMSVTVARNOQH-UHFFFAOYSA-N
XLogP4.86
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.38
LogP ≤ 54.86
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

1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072146
1-(4-methoxyphenyl)-2-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine;hydroiodide
CID 111086530
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
2-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111031471
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111078698
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-(2-benzylsulfinylethyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111807843
2-[2-(3-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111046969

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide (CID 111072148) is 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide is COc1ccc(N/C(N)=N/CCc2ccc(OCc3ccccc3)cc2)cc1.I.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is JCQMSVTVARNOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.HI/c1-27-21-13-9-20(10-14-21)26-23(24)25-16-15-18-7-11-22(12-8-18)28-17-19-5-3-2-4-6-19;/h2-14H,15-17H2,1H3,(H3,24,25,26);1H.
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 503.38 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111072148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).