1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine

C15H16ClN3 — CID 62361409

IUPAC1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
SMILESCN(Cc1ccccc1Cl)/C(N)=N/c1ccccc1
InChIInChI=1S/C15H16ClN3/c1-19(11-12-7-5-6-10-14(12)16)15(17)18-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18)
InChIKeyNACBRXZULUOARJ-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.42
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine

1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine (PubChem CID 62361409) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
PubChem CID62361409
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
SMILESCN(Cc1ccccc1Cl)/C(N)=N/c1ccccc1
InChIInChI=1S/C15H16ClN3/c1-19(11-12-7-5-6-10-14(12)16)15(17)18-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18)
InChIKeyNACBRXZULUOARJ-UHFFFAOYSA-N
XLogP3.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
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-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine
CID 62361429
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
N-[(2-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925096
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine
CID 105418714
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 61415066
N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide
CID 71419496

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine (CID 62361409) is 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine is CN(Cc1ccccc1Cl)/C(N)=N/c1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine?
The InChIKey is NACBRXZULUOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-19(11-12-7-5-6-10-14(12)16)15(17)18-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine?
1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine has a molecular weight of 273.77 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine is sourced from PubChem (CID 62361409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).