N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C17H18F3N — CID 105408643

IUPACN-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N/c1-3-21-11-13-8-7-12(2)16(9-13)14-5-4-6-15(10-14)17(18,19)20/h4-10,21H,3,11H2,1-2H3
InChIKeyRKXVVDJCEDYWLX-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.79
Rot. Bonds4

About N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 105408643) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID105408643
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N/c1-3-21-11-13-8-7-12(2)16(9-13)14-5-4-6-15(10-14)17(18,19)20/h4-10,21H,3,11H2,1-2H3
InChIKeyRKXVVDJCEDYWLX-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992
methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62587369
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 105408935

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 105408643) is N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is RKXVVDJCEDYWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-21-11-13-8-7-12(2)16(9-13)14-5-4-6-15(10-14)17(18,19)20/h4-10,21H,3,11H2,1-2H3.
What are the key properties of N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 105408643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).