2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine

C10H13Cl2N3 — CID 111024875

IUPAC2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3/c1-2-14-10(13)15-6-7-3-4-8(11)5-9(7)12/h3-5H,2,6H2,1H3,(H3,13,14,15)
InChIKeyLMJURUUSQIMWIC-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine

2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine (PubChem CID 111024875) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
PubChem CID111024875
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3/c1-2-14-10(13)15-6-7-3-4-8(11)5-9(7)12/h3-5H,2,6H2,1H3,(H3,13,14,15)
InChIKeyLMJURUUSQIMWIC-UHFFFAOYSA-N
XLogP2.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.42
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'}

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111024821
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 15598981
2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024839
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[(3-hydroxythiolan-3-yl)methyl]guanidine
CID 111908241
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111197822
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
N-[2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111197929
2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111198375
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111965551
1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 54323044
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111197712

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine (CID 111024875) is 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine is CCN/C(N)=N/Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine?
The InChIKey is LMJURUUSQIMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-2-14-10(13)15-6-7-3-4-8(11)5-9(7)12/h3-5H,2,6H2,1H3,(H3,13,14,15).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine?
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine has a molecular weight of 246.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine is sourced from PubChem (CID 111024875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).