2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine

C17H19Cl2N3 — CID 3419611

IUPAC2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\Cc1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C17H19Cl2N3/c1-12(2)21-17(22-15-6-4-3-5-7-15)20-11-13-8-9-14(18)10-16(13)19/h3-10,12H,11H2,1-2H3,(H2,20,21,22)
InChIKeyIPURTGGCIASEME-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.96
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine

2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine (PubChem CID 3419611) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine
PubChem CID3419611
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\Cc1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C17H19Cl2N3/c1-12(2)21-17(22-15-6-4-3-5-7-15)20-11-13-8-9-14(18)10-16(13)19/h3-10,12H,11H2,1-2H3,(H2,20,21,22)
InChIKeyIPURTGGCIASEME-UHFFFAOYSA-N
XLogP4.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine (CID 3419611) is 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine is CC(C)N/C(=N\Cc1ccc(Cl)cc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine?
The InChIKey is IPURTGGCIASEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3/c1-12(2)21-17(22-15-6-4-3-5-7-15)20-11-13-8-9-14(18)10-16(13)19/h3-10,12H,11H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine?
2-[(2,4-dichlorophenyl)methyl]-1-phenyl-3-propan-2-ylguanidine has a molecular weight of 336.27 g/mol, XLogP of 4.96, 4 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-phenyl-3-propan-2-ylguanidine is sourced from PubChem (CID 3419611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).