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

C17H22IN3O — CID 111077718

IUPAC1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCc1cccc(C)c1.I
InChIInChI=1S/C17H21N3O.HI/c1-13-6-5-7-14(12-13)10-11-19-17(18)20-15-8-3-4-9-16(15)21-2;/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyLIZULXJGOQQERE-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.59
Rot. Bonds5

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

1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111077718) has the molecular formula C17H22IN3O and a molecular weight of 411.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
PubChem CID111077718
Molecular FormulaC17H22IN3O
Molecular Weight411.29 g/mol
Exact Mass411.08
IUPAC Name1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCc1cccc(C)c1.I
InChIInChI=1S/C17H21N3O.HI/c1-13-6-5-7-14(12-13)10-11-19-17(18)20-15-8-3-4-9-16(15)21-2;/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyLIZULXJGOQQERE-UHFFFAOYSA-N
XLogP3.59
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3,4-dimethoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077752
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111031973
1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072146
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626
1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
CID 84518898
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide (CID 111077718) is 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide is COc1ccccc1N/C(N)=N/CCc1cccc(C)c1.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is LIZULXJGOQQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.HI/c1-13-6-5-7-14(12-13)10-11-19-17(18)20-15-8-3-4-9-16(15)21-2;/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 411.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111077718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).