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

C11H16Cl2IN3 — CID 111197785

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide
SMILESCCN/C(=N\C)NCc1ccc(Cl)cc1Cl.I
InChIInChI=1S/C11H15Cl2N3.HI/c1-3-15-11(14-2)16-7-8-4-5-9(12)6-10(8)13;/h4-6H,3,7H2,1-2H3,(H2,14,15,16);1H
InChIKeyPYRUKDMFDWIDQL-UHFFFAOYSA-N
MW388.08 g/mol
LogP3.30
Rot. Bonds3

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

1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide (PubChem CID 111197785) has the molecular formula C11H16Cl2IN3 and a molecular weight of 388.08 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide
PubChem CID111197785
Molecular FormulaC11H16Cl2IN3
Molecular Weight388.08 g/mol
Exact Mass386.98
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide
SMILESCCN/C(=N\C)NCc1ccc(Cl)cc1Cl.I
InChIInChI=1S/C11H15Cl2N3.HI/c1-3-15-11(14-2)16-7-8-4-5-9(12)6-10(8)13;/h4-6H,3,7H2,1-2H3,(H2,14,15,16);1H
InChIKeyPYRUKDMFDWIDQL-UHFFFAOYSA-N
XLogP3.30
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.08
LogP ≤ 53.30
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-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 110893037
4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111197443
1-[(2,4-dichlorophenyl)methyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111197463
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine
CID 111197584
N-[2-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111198153
methyl 3-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111197789
1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
CID 111197818
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111197476
1-[(2,4-dichlorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111512167
methyl 3-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111197790
4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111197674
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111197857

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide (CID 111197785) is 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide is CCN/C(=N\C)NCc1ccc(Cl)cc1Cl.I.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide?
The InChIKey is PYRUKDMFDWIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3.HI/c1-3-15-11(14-2)16-7-8-4-5-9(12)6-10(8)13;/h4-6H,3,7H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide?
1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide has a molecular weight of 388.08 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111197785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).