2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine

C17H20Cl2N4 — CID 111198392

IUPAC2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(Cl)cc1Cl)NCCc1cccnc1
InChIInChI=1S/C17H20Cl2N4/c1-2-21-17(22-9-7-13-4-3-8-20-11-13)23-12-14-5-6-15(18)10-16(14)19/h3-6,8,10-11H,2,7,9,12H2,1H3,(H2,21,22,23)
InChIKeyHOTFAAFDLGUNJZ-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.69
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine

2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine (PubChem CID 111198392) has the molecular formula C17H20Cl2N4 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
PubChem CID111198392
Molecular FormulaC17H20Cl2N4
Molecular Weight351.28 g/mol
Exact Mass350.11
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(Cl)cc1Cl)NCCc1cccnc1
InChIInChI=1S/C17H20Cl2N4/c1-2-21-17(22-9-7-13-4-3-8-20-11-13)23-12-14-5-6-15(18)10-16(14)19/h3-6,8,10-11H,2,7,9,12H2,1H3,(H2,21,22,23)
InChIKeyHOTFAAFDLGUNJZ-UHFFFAOYSA-N
XLogP3.69
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.69
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

2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111358554
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111793442
1-ethyl-3-(2-pyridin-3-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377667
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111203082
1-ethyl-3-(2-pyridin-3-ylethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421029
1-ethyl-3-(2-pyridin-3-ylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111016367
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111200249
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969467
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111197712
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
1-ethyl-3-(2-pyridin-3-ylethyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111871605
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970323

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine (CID 111198392) is 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine is CCN/C(=N\Cc1ccc(Cl)cc1Cl)NCCc1cccnc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is HOTFAAFDLGUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4/c1-2-21-17(22-9-7-13-4-3-8-20-11-13)23-12-14-5-6-15(18)10-16(14)19/h3-6,8,10-11H,2,7,9,12H2,1H3,(H2,21,22,23).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 351.28 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 111198392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).