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

C20H16F3N — CID 162147514

IUPAC4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N/c1-15-7-11-18(12-8-15)24(17-5-3-2-4-6-17)19-13-9-16(10-14-19)20(21,22)23/h2-14H,1H3
InChIKeyZKTLOCYPYLHHNS-UHFFFAOYSA-N
MW327.35 g/mol
LogP6.48
Rot. Bonds3

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

4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 162147514) has the molecular formula C20H16F3N and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID162147514
Molecular FormulaC20H16F3N
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N/c1-15-7-11-18(12-8-15)24(17-5-3-2-4-6-17)19-13-9-16(10-14-19)20(21,22)23/h2-14H,1H3
InChIKeyZKTLOCYPYLHHNS-UHFFFAOYSA-N
XLogP6.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.35
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58986519
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline
CID 101495641
ethane;N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 91535424
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163737553
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline (CID 162147514) is 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline is Cc1ccc(N(c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is ZKTLOCYPYLHHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N/c1-15-7-11-18(12-8-15)24(17-5-3-2-4-6-17)19-13-9-16(10-14-19)20(21,22)23/h2-14H,1H3.
What are the key properties of 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline?
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 327.35 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 162147514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).