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

C10H14Cl2IN3 — CID 110893037

IUPAC1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc(Cl)cc1Cl.I
InChIInChI=1S/C10H13Cl2N3.HI/c1-13-10(14-2)15-6-7-3-4-8(11)5-9(7)12;/h3-5H,6H2,1-2H3,(H2,13,14,15);1H
InChIKeyZRVQIQVCFGCCNF-UHFFFAOYSA-N
MW374.05 g/mol
LogP2.91
Rot. Bonds2

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

1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110893037) has the molecular formula C10H14Cl2IN3 and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110893037
Molecular FormulaC10H14Cl2IN3
Molecular Weight374.05 g/mol
Exact Mass372.96
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc(Cl)cc1Cl.I
InChIInChI=1S/C10H13Cl2N3.HI/c1-13-10(14-2)15-6-7-3-4-8(11)5-9(7)12;/h3-5H,6H2,1-2H3,(H2,13,14,15);1H
InChIKeyZRVQIQVCFGCCNF-UHFFFAOYSA-N
XLogP2.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 52.91
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]-3-ethyl-2-methylguanidine;hydroiodide
CID 111197785
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-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111197463
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
methyl 3-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111197790
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111197857
4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111197443
1-[(2,4-dichlorophenyl)methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111198383
1-[(2,4-dichlorophenyl)methyl]-3-[[2-(methanesulfonamido)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111197571

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide (CID 110893037) is 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCc1ccc(Cl)cc1Cl.I.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is ZRVQIQVCFGCCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3.HI/c1-13-10(14-2)15-6-7-3-4-8(11)5-9(7)12;/h3-5H,6H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 374.05 g/mol, XLogP of 2.91, 2 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]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110893037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).