1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine

C11H16Cl2N4 — CID 121224973

IUPAC1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine
SMILESCN(C)CC/N=C(\N)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N4/c1-17(2)6-5-15-11(14)16-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H3,14,15,16)
InChIKeyKUWCEWWIRGJZLZ-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.28
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine

1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine (PubChem CID 121224973) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine
PubChem CID121224973
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine
SMILESCN(C)CC/N=C(\N)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N4/c1-17(2)6-5-15-11(14)16-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H3,14,15,16)
InChIKeyKUWCEWWIRGJZLZ-UHFFFAOYSA-N
XLogP2.28
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
2-[7-(dimethylamino)heptyl]-1-(4-methylphenyl)guanidine
CID 111084897
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
CID 110912605
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
2-butyl-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111023202
1-(3-chloro-4-methoxyphenyl)-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 111066425
2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
CID 111084905
butyl (NZ)-N-[amino-(3,4-dichloroanilino)methylidene]-N'-ethylcarbamimidothioate
CID 177482985
methyl (NZ)-N-[amino-(3,4-dichloroanilino)methylidene]-N'-octylcarbamimidothioate
CID 177391347
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine (CID 121224973) is 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine is CN(C)CC/N=C(\N)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine?
The InChIKey is KUWCEWWIRGJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-17(2)6-5-15-11(14)16-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine?
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine has a molecular weight of 275.18 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine is sourced from PubChem (CID 121224973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).