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

C18H24IN3 — CID 111031276

IUPAC1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCc2ccccc2C)c1.I
InChIInChI=1S/C18H23N3.HI/c1-3-15-8-6-10-17(13-15)21-18(19)20-12-11-16-9-5-4-7-14(16)2;/h4-10,13H,3,11-12H2,1-2H3,(H3,19,20,21);1H
InChIKeyXQEVNMOEVKRFHQ-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.14
Rot. Bonds5

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

1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111031276) has the molecular formula C18H24IN3 and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
PubChem CID111031276
Molecular FormulaC18H24IN3
Molecular Weight409.32 g/mol
Exact Mass409.10
IUPAC Name1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCc2ccccc2C)c1.I
InChIInChI=1S/C18H23N3.HI/c1-3-15-8-6-10-17(13-15)21-18(19)20-12-11-16-9-5-4-7-14(16)2;/h4-10,13H,3,11-12H2,1-2H3,(H3,19,20,21);1H
InChIKeyXQEVNMOEVKRFHQ-UHFFFAOYSA-N
XLogP4.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111802467
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111034476
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030708
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111090498
1-(3-ethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053940
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111036299
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
CID 111090499
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide (CID 111031276) is 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide is CCc1cccc(N/C(N)=N/CCc2ccccc2C)c1.I.
What is the InChIKey of 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is XQEVNMOEVKRFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.HI/c1-3-15-8-6-10-17(13-15)21-18(19)20-12-11-16-9-5-4-7-14(16)2;/h4-10,13H,3,11-12H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 409.32 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111031276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).