1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C17H18F3N — CID 62801145

IUPAC1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(C)c(C(C)(N)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N/c1-11-8-9-12(2)15(10-11)16(3,21)13-6-4-5-7-14(13)17(18,19)20/h4-10H,21H2,1-3H3
InChIKeyKGFQWMGAIUFWNW-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.54
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62801145) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID62801145
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(C)c(C(C)(N)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N/c1-11-8-9-12(2)15(10-11)16(3,21)13-6-4-5-7-14(13)17(18,19)20/h4-10H,21H2,1-3H3
InChIKeyKGFQWMGAIUFWNW-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 62789032
1-(2,5-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963750
1,2-dimethyl-3-(trifluoromethyl)benzene;1,4-dimethyl-2-(trifluoromethyl)benzene;ethane
CID 165397677
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
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1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801465
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene
CID 20697245
1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine
CID 55136169
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
CID 62788866
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 62801145) is 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is Cc1ccc(C)c(C(C)(N)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KGFQWMGAIUFWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-11-8-9-12(2)15(10-11)16(3,21)13-6-4-5-7-14(13)17(18,19)20/h4-10H,21H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62801145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).