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

C9H12Cl2N4 — CID 64869015

IUPAC1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
SMILESCC(/N=C(\N)NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N4/c1-5(14-9(12)15-13)7-3-2-6(10)4-8(7)11/h2-5H,13H2,1H3,(H3,12,14,15)
InChIKeyWTIALLDQXMXXEP-UHFFFAOYSA-N
MW247.13 g/mol
LogP1.83
Rot. Bonds2

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

1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine (PubChem CID 64869015) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
PubChem CID64869015
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
SMILESCC(/N=C(\N)NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N4/c1-5(14-9(12)15-13)7-3-2-6(10)4-8(7)11/h2-5H,13H2,1H3,(H3,12,14,15)
InChIKeyWTIALLDQXMXXEP-UHFFFAOYSA-N
XLogP1.83
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 110884485
2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
CID 62363836
1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
CID 64869068
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023048
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
1-[1-(2,4-dichlorophenyl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111026517
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058274
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
3-(2,4-dichlorophenyl)-2-methylbutanethioamide
CID 83928346

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine?
The IUPAC name of 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine (CID 64869015) is 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine is CC(/N=C(\N)NN)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine?
The InChIKey is WTIALLDQXMXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4/c1-5(14-9(12)15-13)7-3-2-6(10)4-8(7)11/h2-5H,13H2,1H3,(H3,12,14,15).
What are the key properties of 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine?
1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine has a molecular weight of 247.13 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine is sourced from PubChem (CID 64869015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).