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

C17H22IN3O2 — CID 111024071

IUPAC1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(CC/N=C(\N)Nc2ccccc2OC)cc1.I
InChIInChI=1S/C17H21N3O2.HI/c1-21-14-9-7-13(8-10-14)11-12-19-17(18)20-15-5-3-4-6-16(15)22-2;/h3-10H,11-12H2,1-2H3,(H3,18,19,20);1H
InChIKeyXSWCVZHUSXFBRB-UHFFFAOYSA-N
MW427.29 g/mol
LogP3.29
Rot. Bonds6

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

1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111024071) has the molecular formula C17H22IN3O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID111024071
Molecular FormulaC17H22IN3O2
Molecular Weight427.29 g/mol
Exact Mass427.08
IUPAC Name1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(CC/N=C(\N)Nc2ccccc2OC)cc1.I
InChIInChI=1S/C17H21N3O2.HI/c1-21-14-9-7-13(8-10-14)11-12-19-17(18)20-15-5-3-4-6-16(15)22-2;/h3-10H,11-12H2,1-2H3,(H3,18,19,20);1H
InChIKeyXSWCVZHUSXFBRB-UHFFFAOYSA-N
XLogP3.29
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 53.29
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
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
CID 111818407
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
1-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806315
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide (CID 111024071) is 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide is COc1ccc(CC/N=C(\N)Nc2ccccc2OC)cc1.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is XSWCVZHUSXFBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.HI/c1-21-14-9-7-13(8-10-14)11-12-19-17(18)20-15-5-3-4-6-16(15)22-2;/h3-10H,11-12H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 427.29 g/mol, XLogP of 3.29, 6 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-methoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111024071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).