1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C17H18F3N — CID 62115577

IUPAC1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(C(N)Cc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C17H18F3N/c1-11-3-6-14(9-12(11)2)16(21)10-13-4-7-15(8-5-13)17(18,19)20/h3-9,16H,10,21H2,1-2H3
InChIKeyTYBHTJPMLRVFQA-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.56
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62115577) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID62115577
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(C(N)Cc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C17H18F3N/c1-11-3-6-14(9-12(11)2)16(21)10-13-4-7-15(8-5-13)17(18,19)20/h3-9,16H,10,21H2,1-2H3
InChIKeyTYBHTJPMLRVFQA-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 81316901
(1R)-1-(3,4-dimethylphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200486
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 63530732
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 62115577) is 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is Cc1ccc(C(N)Cc2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is TYBHTJPMLRVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-11-3-6-14(9-12(11)2)16(21)10-13-4-7-15(8-5-13)17(18,19)20/h3-9,16H,10,21H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62115577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).