1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C17H18F3N — CID 60944396

IUPAC1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-12-7-9-14(10-8-12)13(2)21-11-15-5-3-4-6-16(15)17(18,19)20/h3-10,13,21H,11H2,1-2H3
InChIKeyXJHRMAPUKGKWIR-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.86
Rot. Bonds4

About 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 60944396) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID60944396
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-12-7-9-14(10-8-12)13(2)21-11-15-5-3-4-6-16(15)17(18,19)20/h3-10,13,21H,11H2,1-2H3
InChIKeyXJHRMAPUKGKWIR-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62842187
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol
CID 70834223
2-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]benzoic acid
CID 103258886
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43435895
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107167364
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 61240689
1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 121283382

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 60944396) is 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is Cc1ccc(C(C)NCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is XJHRMAPUKGKWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-7-9-14(10-8-12)13(2)21-11-15-5-3-4-6-16(15)17(18,19)20/h3-10,13,21H,11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 60944396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).