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

C15H15Cl2N3O — CID 111024815

IUPAC2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-21-14-5-3-2-4-13(14)20-15(18)19-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H3,18,19,20)
InChIKeyVLWDLHMINPZYFO-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.93
Rot. Bonds4

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

2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111024815) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111024815
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-21-14-5-3-2-4-13(14)20-15(18)19-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H3,18,19,20)
InChIKeyVLWDLHMINPZYFO-UHFFFAOYSA-N
XLogP3.93
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.93
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-[(5-cyano-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821560
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024839
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111809136
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
2-[(4-chloro-2-methoxyphenyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111806754
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809135

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine (CID 111024815) is 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine is COc1ccccc1N/C(N)=N/Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is VLWDLHMINPZYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-21-14-5-3-2-4-13(14)20-15(18)19-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H3,18,19,20).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine?
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 324.21 g/mol, XLogP of 3.93, 4 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-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111024815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).