N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline

C16H15F4N — CID 115350196

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C16H15F4N/c1-10-3-4-15(11(2)5-10)21-9-12-6-13(16(18,19)20)8-14(17)7-12/h3-8,21H,9H2,1-2H3
InChIKeyGTUUEMIFNVRCHN-UHFFFAOYSA-N
MW297.30 g/mol
LogP5.07
Rot. Bonds3

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline (PubChem CID 115350196) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
PubChem CID115350196
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C16H15F4N/c1-10-3-4-15(11(2)5-10)21-9-12-6-13(16(18,19)20)8-14(17)7-12/h3-8,21H,9H2,1-2H3
InChIKeyGTUUEMIFNVRCHN-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
CID 115350292
4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 107633013
1-(4-butyl-2-methylphenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea
CID 3854147
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 83166741
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3312760
N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline
CID 79978662
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 115350267
3-chloro-4-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350293
3-bromo-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350222

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline (CID 115350196) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline is Cc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline?
The InChIKey is GTUUEMIFNVRCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-10-3-4-15(11(2)5-10)21-9-12-6-13(16(18,19)20)8-14(17)7-12/h3-8,21H,9H2,1-2H3.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline has a molecular weight of 297.30 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline is sourced from PubChem (CID 115350196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).