dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium

C17H19F3N+ — CID 161071395

IUPACdimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium
SMILESCc1ccc(C[N+](C)(C)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N/c1-13-8-10-14(11-9-13)12-21(2,3)16-7-5-4-6-15(16)17(18,19)20/h4-11H,12H2,1-3H3/q+1
InChIKeyUESAGFSKWNBRGZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP4.78
Rot. Bonds3

About dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium

dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium (PubChem CID 161071395) has the molecular formula C17H19F3N+ and a molecular weight of 294.34 g/mol. Its IUPAC name is dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Namedimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium
PubChem CID161071395
Molecular FormulaC17H19F3N+
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Namedimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium
SMILESCc1ccc(C[N+](C)(C)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N/c1-13-8-10-14(11-9-13)12-21(2,3)16-7-5-4-6-15(16)17(18,19)20/h4-11H,12H2,1-3H3/q+1
InChIKeyUESAGFSKWNBRGZ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
benzyl-dimethyl-(4-methylphenyl)azanium;trifluoromethanesulfonate
CID 87126496
1-[1-chloro-2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63544064
dimethyl-[(4-methylphenyl)methyl]-phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 142413098
[4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium
CID 154623453
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium
CID 23460203
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium?
The IUPAC name of dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium (CID 161071395) is dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium is Cc1ccc(C[N+](C)(C)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium?
The InChIKey is UESAGFSKWNBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N/c1-13-8-10-14(11-9-13)12-21(2,3)16-7-5-4-6-15(16)17(18,19)20/h4-11H,12H2,1-3H3/q+1.
What are the key properties of dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium?
dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium has a molecular weight of 294.34 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(4-methylphenyl)methyl]-[2-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 161071395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).