2-ethyl-1-(5-iodo-2-methylphenyl)guanidine

C10H14IN3 — CID 130498289

IUPAC2-ethyl-1-(5-iodo-2-methylphenyl)guanidine
SMILESCC/N=C(\N)Nc1cc(I)ccc1C
InChIInChI=1S/C10H14IN3/c1-3-13-10(12)14-9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyHYRMIPWVUXIWRL-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.35
Rot. Bonds2

About 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine

2-ethyl-1-(5-iodo-2-methylphenyl)guanidine (PubChem CID 130498289) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(5-iodo-2-methylphenyl)guanidine
PubChem CID130498289
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name2-ethyl-1-(5-iodo-2-methylphenyl)guanidine
SMILESCC/N=C(\N)Nc1cc(I)ccc1C
InChIInChI=1S/C10H14IN3/c1-3-13-10(12)14-9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyHYRMIPWVUXIWRL-UHFFFAOYSA-N
XLogP2.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.35
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

2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
CID 114258213
1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide
CID 117068479
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906
2-carbamothioyl-N-(5-iodo-2-methylphenyl)pentanamide
CID 114257453
1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride
CID 18622046
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
1-(5-fluoro-2-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62379802
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine?
The IUPAC name of 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine (CID 130498289) is 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine?
The canonical SMILES for 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine is CC/N=C(\N)Nc1cc(I)ccc1C.
What is the InChIKey of 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine?
The InChIKey is HYRMIPWVUXIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c1-3-13-10(12)14-9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine?
2-ethyl-1-(5-iodo-2-methylphenyl)guanidine has a molecular weight of 303.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-iodo-2-methylphenyl)guanidine is sourced from PubChem (CID 130498289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).