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

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Related Compounds

2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499
1-N-(4-bromo-2-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29066652
N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
CID 43833157
2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)thiourea
CID 5025528
6-(aminomethyl)-N-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 66617013
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
CID 107926853
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
2-(4-bromo-2-methylanilino)-4-(trifluoromethyl)benzoic acid
CID 155452295
N-(4-methylphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 3090532
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494

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).