2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine

C15H15Cl2N3 — CID 111024839

IUPAC2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3/c1-10-2-6-13(7-3-10)20-15(18)19-9-11-4-5-12(16)8-14(11)17/h2-8H,9H2,1H3,(H3,18,19,20)
InChIKeyGTWXHRHOXLDMSD-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.23
Rot. Bonds3

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

2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine (PubChem CID 111024839) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
PubChem CID111024839
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3/c1-10-2-6-13(7-3-10)20-15(18)19-9-11-4-5-12(16)8-14(11)17/h2-8H,9H2,1H3,(H3,18,19,20)
InChIKeyGTWXHRHOXLDMSD-UHFFFAOYSA-N
XLogP4.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.23
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

1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 54323044
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024216
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111024215
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
2-[(2,4-dichlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 111024864
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 15598981
2-[(2,4-dichlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111024821
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine (CID 111024839) is 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine?
The InChIKey is GTWXHRHOXLDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-10-2-6-13(7-3-10)20-15(18)19-9-11-4-5-12(16)8-14(11)17/h2-8H,9H2,1H3,(H3,18,19,20).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine?
2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine has a molecular weight of 308.21 g/mol, XLogP of 4.23, 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-(4-methylphenyl)guanidine is sourced from PubChem (CID 111024839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).