2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide

C17H22IN3O2 — CID 111100207

IUPAC2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCOc1cccc(CC/N=C(\N)Nc2ccc(C)cc2)c1O.I
InChIInChI=1S/C17H21N3O2.HI/c1-12-6-8-14(9-7-12)20-17(18)19-11-10-13-4-3-5-15(22-2)16(13)21;/h3-9,21H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyGFENWFYFXYFDIL-UHFFFAOYSA-N
MW427.29 g/mol
LogP3.30
Rot. Bonds5

About 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide

2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide (PubChem CID 111100207) has the molecular formula C17H22IN3O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
PubChem CID111100207
Molecular FormulaC17H22IN3O2
Molecular Weight427.29 g/mol
Exact Mass427.08
IUPAC Name2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCOc1cccc(CC/N=C(\N)Nc2ccc(C)cc2)c1O.I
InChIInChI=1S/C17H21N3O2.HI/c1-12-6-8-14(9-7-12)20-17(18)19-11-10-13-4-3-5-15(22-2)16(13)21;/h3-9,21H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyGFENWFYFXYFDIL-UHFFFAOYSA-N
XLogP3.30
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 53.30
H-Bond Donors ≤ 53
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-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
1-(3,5-dimethylphenyl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111034928
1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806543
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111100195
2-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111031471
1-(3,4-dimethoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077752
2-[2-(2-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111044381
2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111085687
2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111097644
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 111031502
1-(4-methoxyphenyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111080336

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide (CID 111100207) is 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide is COc1cccc(CC/N=C(\N)Nc2ccc(C)cc2)c1O.I.
What is the InChIKey of 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The InChIKey is GFENWFYFXYFDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.HI/c1-12-6-8-14(9-7-12)20-17(18)19-11-10-13-4-3-5-15(22-2)16(13)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-(4-methylphenyl)guanidine;hydroiodide?
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide has a molecular weight of 427.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111100207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).