2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C17H18F3N — CID 115803330

IUPAC2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3N/c1-2-12-3-5-13(6-4-12)11-16(21)14-7-9-15(10-8-14)17(18,19)20/h3-10,16H,2,11,21H2,1H3
InChIKeyVIXRDVMZQQCMFD-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.51
Rot. Bonds4

About 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 115803330) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID115803330
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3N/c1-2-12-3-5-13(6-4-12)11-16(21)14-7-9-15(10-8-14)17(18,19)20/h3-10,16H,2,11,21H2,1H3
InChIKeyVIXRDVMZQQCMFD-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
2-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 173155722
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 81316901
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 115803330) is 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CCc1ccc(CC(N)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is VIXRDVMZQQCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-12-3-5-13(6-4-12)11-16(21)14-7-9-15(10-8-14)17(18,19)20/h3-10,16H,2,11,21H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115803330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).