4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline

C16H13F6N — CID 164671862

IUPAC4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(Nc2ccc(C(F)(F)F)cc2C)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N/c1-9-3-5-14(12(7-9)16(20,21)22)23-13-6-4-11(8-10(13)2)15(17,18)19/h3-8,23H,1-2H3
InChIKeySNXDRHIIAMKENW-UHFFFAOYSA-N
MW333.28 g/mol
LogP6.08
Rot. Bonds2

About 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline

4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline (PubChem CID 164671862) has the molecular formula C16H13F6N and a molecular weight of 333.28 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
PubChem CID164671862
Molecular FormulaC16H13F6N
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC Name4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(Nc2ccc(C(F)(F)F)cc2C)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N/c1-9-3-5-14(12(7-9)16(20,21)22)23-13-6-4-11(8-10(13)2)15(17,18)19/h3-8,23H,1-2H3
InChIKeySNXDRHIIAMKENW-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline 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

Dibenz(b,f)azepine
CID 9212
Iminodibenyl
CID 10308
4,4'-Dioctyldiphenylamine
CID 7569
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
N-(3-Methylphenyl)aniline
CID 14569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-Phenyl-p-toluidine
CID 12109
Santoflex DD
CID 6965
Benzenamine, 4-methyl-N-(4-methylphenyl)-
CID 69293
3-(Trifluoromethyl)-N-phenylaniline
CID 7548
6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline)
CID 99342
Dimesitylamine
CID 11191273

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline (CID 164671862) is 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline is Cc1ccc(Nc2ccc(C(F)(F)F)cc2C)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
The InChIKey is SNXDRHIIAMKENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N/c1-9-3-5-14(12(7-9)16(20,21)22)23-13-6-4-11(8-10(13)2)15(17,18)19/h3-8,23H,1-2H3.
What are the key properties of 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline has a molecular weight of 333.28 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 164671862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).