1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide

C13H20Cl2IN3 — CID 111310127

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide
SMILESCC/N=C(\NCC)NC(C)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C13H19Cl2N3.HI/c1-4-16-13(17-5-2)18-9(3)11-7-6-10(14)8-12(11)15;/h6-9H,4-5H2,1-3H3,(H2,16,17,18);1H
InChIKeyWSWUQLPEEFBFHN-UHFFFAOYSA-N
MW416.13 g/mol
LogP4.25
Rot. Bonds4

About 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide

1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide (PubChem CID 111310127) has the molecular formula C13H20Cl2IN3 and a molecular weight of 416.13 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide
PubChem CID111310127
Molecular FormulaC13H20Cl2IN3
Molecular Weight416.13 g/mol
Exact Mass415.01
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide
SMILESCC/N=C(\NCC)NC(C)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C13H19Cl2N3.HI/c1-4-16-13(17-5-2)18-9(3)11-7-6-10(14)8-12(11)15;/h6-9H,4-5H2,1-3H3,(H2,16,17,18);1H
InChIKeyWSWUQLPEEFBFHN-UHFFFAOYSA-N
XLogP4.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.13
LogP ≤ 54.25
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-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111310733
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111310731
2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111310625
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylguanidine;hydroiodide
CID 119132129
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111310213
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111310404
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 109392191
1-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111310357
N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111310205
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[(4-methylsulfanyloxan-4-yl)methyl]guanidine
CID 111515126
1-[1-(2,4-dichlorophenyl)ethyl]-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-ethylguanidine;hydroiodide
CID 111310291
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111310120

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide (CID 111310127) is 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide is CC/N=C(\NCC)NC(C)c1ccc(Cl)cc1Cl.I.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide?
The InChIKey is WSWUQLPEEFBFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3.HI/c1-4-16-13(17-5-2)18-9(3)11-7-6-10(14)8-12(11)15;/h6-9H,4-5H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide?
1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide has a molecular weight of 416.13 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide is sourced from PubChem (CID 111310127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).