4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline

C16H15ClF3N — CID 63419212

IUPAC4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(C)c(CNc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C16H15ClF3N/c1-10-3-4-11(2)12(7-10)9-21-15-6-5-13(17)8-14(15)16(18,19)20/h3-8,21H,9H2,1-2H3
InChIKeyHFNXGOCZQXJVBZ-UHFFFAOYSA-N
MW313.75 g/mol
LogP5.59
Rot. Bonds3

About 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline

4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 63419212) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline
PubChem CID63419212
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(C)c(CNc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C16H15ClF3N/c1-10-3-4-11(2)12(7-10)9-21-15-6-5-13(17)8-14(15)16(18,19)20/h3-8,21H,9H2,1-2H3
InChIKeyHFNXGOCZQXJVBZ-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.75
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
4-chloro-2-N-[(2,5-dimethylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 63447088
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
N-[(4-bromo-3-methylphenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66473781
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305
4-chloro-N-prop-2-ynyl-2-(trifluoromethyl)aniline
CID 62140302
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62742684
N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54957845
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline (CID 63419212) is 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline is Cc1ccc(C)c(CNc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is HFNXGOCZQXJVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-10-3-4-11(2)12(7-10)9-21-15-6-5-13(17)8-14(15)16(18,19)20/h3-8,21H,9H2,1-2H3.
What are the key properties of 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline?
4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 313.75 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 63419212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).