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

C23H26IN3O2 — CID 111072146

IUPAC1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCc1ccc(OCc2ccccc2)cc1.I
InChIInChI=1S/C23H25N3O2.HI/c1-27-22-10-6-5-9-21(22)26-23(24)25-16-15-18-11-13-20(14-12-18)28-17-19-7-3-2-4-8-19;/h2-14H,15-17H2,1H3,(H3,24,25,26);1H
InChIKeyOAPBFXWOCXPWDJ-UHFFFAOYSA-N
MW503.38 g/mol
LogP4.86
Rot. Bonds8

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

1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111072146) has the molecular formula C23H26IN3O2 and a molecular weight of 503.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID111072146
Molecular FormulaC23H26IN3O2
Molecular Weight503.38 g/mol
Exact Mass503.11
IUPAC Name1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCc1ccc(OCc2ccccc2)cc1.I
InChIInChI=1S/C23H25N3O2.HI/c1-27-22-10-6-5-9-21(22)26-23(24)25-16-15-18-11-13-20(14-12-18)28-17-19-7-3-2-4-8-19;/h2-14H,15-17H2,1H3,(H3,24,25,26);1H
InChIKeyOAPBFXWOCXPWDJ-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-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072148
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
1-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806315
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
CID 111818407
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide (CID 111072146) is 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide is COc1ccccc1N/C(N)=N/CCc1ccc(OCc2ccccc2)cc1.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is OAPBFXWOCXPWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.HI/c1-27-22-10-6-5-9-21(22)26-23(24)25-16-15-18-11-13-20(14-12-18)28-17-19-7-3-2-4-8-19;/h2-14H,15-17H2,1H3,(H3,24,25,26);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide?
1-(2-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-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111072146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).