2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine

C15H12Cl2F3N3 — CID 10832457

IUPAC2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine
SMILESCN(/C(N)=N/c1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12Cl2F3N3/c1-23(11-4-2-3-9(7-11)15(18,19)20)14(21)22-13-8-10(16)5-6-12(13)17/h2-8H,1H3,(H2,21,22)
InChIKeyGVGUFMZNJVXZGD-UHFFFAOYSA-N
MW362.18 g/mol
LogP5.09
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine

2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine (PubChem CID 10832457) has the molecular formula C15H12Cl2F3N3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine
PubChem CID10832457
Molecular FormulaC15H12Cl2F3N3
Molecular Weight362.18 g/mol
Exact Mass361.04
IUPAC Name2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine
SMILESCN(/C(N)=N/c1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12Cl2F3N3/c1-23(11-4-2-3-9(7-11)15(18,19)20)14(21)22-13-8-10(16)5-6-12(13)17/h2-8H,1H3,(H2,21,22)
InChIKeyGVGUFMZNJVXZGD-UHFFFAOYSA-N
XLogP5.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.18
LogP ≤ 55.09
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

2-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 22121806
1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 18752006
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
2-[2-(2-bromoethyl)phenyl]-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 54370914
1-(3-ethylphenyl)-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylguanidine;hydrochloride
CID 22121774
1-[3-amino-5-(trifluoromethyl)phenyl]-2-(2-chloro-5-methylsulfanylphenyl)-1-methylguanidine
CID 162534720
2-(2-chloro-5-ethylphenyl)-1-(3-iodophenyl)-1-methylguanidine
CID 18751563
2-[2-bromo-5-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 22121786
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
N'-(2,5-dichlorophenyl)ethanimidamide
CID 63173337
2-[2-chloro-5-ethyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262089
1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine
CID 88840581

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine (CID 10832457) is 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine is CN(/C(N)=N/c1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine?
The InChIKey is GVGUFMZNJVXZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N3/c1-23(11-4-2-3-9(7-11)15(18,19)20)14(21)22-13-8-10(16)5-6-12(13)17/h2-8H,1H3,(H2,21,22).
What are the key properties of 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine?
2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine has a molecular weight of 362.18 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 10832457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).