2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

C17H22IN3O3 — CID 111100183

IUPAC2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCc1cccc(OC)c1O.I
InChIInChI=1S/C17H21N3O3.HI/c1-22-14-8-4-3-7-13(14)20-17(18)19-11-10-12-6-5-9-15(23-2)16(12)21;/h3-9,21H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyNSHMYASVSGENNA-UHFFFAOYSA-N
MW443.29 g/mol
LogP3.00
Rot. Bonds6

About 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111100183) has the molecular formula C17H22IN3O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
PubChem CID111100183
Molecular FormulaC17H22IN3O3
Molecular Weight443.29 g/mol
Exact Mass443.07
IUPAC Name2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCc1cccc(OC)c1O.I
InChIInChI=1S/C17H21N3O3.HI/c1-22-14-8-4-3-7-13(14)20-17(18)19-11-10-12-6-5-9-15(23-2)16(12)21;/h3-9,21H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyNSHMYASVSGENNA-UHFFFAOYSA-N
XLogP3.00
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111100207
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111100195
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (CID 111100183) is 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is COc1ccccc1N/C(N)=N/CCc1cccc(OC)c1O.I.
What is the InChIKey of 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is NSHMYASVSGENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.HI/c1-22-14-8-4-3-7-13(14)20-17(18)19-11-10-12-6-5-9-15(23-2)16(12)21;/h3-9,21H,10-11H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 443.29 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111100183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).