2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine

C11H14F3N — CID 77128155

IUPAC2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)C(F)(F)F)cc1C
InChIInChI=1S/C11H14F3N/c1-6-4-8(3)9(5-7(6)2)10(15)11(12,13)14/h4-5,10H,15H2,1-3H3
InChIKeyRSGAVJHVHSDGFA-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.17
Rot. Bonds1

About 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine

2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 77128155) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID77128155
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)C(F)(F)F)cc1C
InChIInChI=1S/C11H14F3N/c1-6-4-8(3)9(5-7(6)2)10(15)11(12,13)14/h4-5,10H,15H2,1-3H3
InChIKeyRSGAVJHVHSDGFA-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
CID 82304919
(1S)-2,2,2-trifluoro-1-(4-methyl-1H-pyrrol-3-yl)ethanamine
CID 131122522
2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
CID 126971495
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluoro-5-methylphenol
CID 66511370
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-bromo-5-methylphenol
CID 66512038
2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116757449
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine (CID 77128155) is 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is RSGAVJHVHSDGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-6-4-8(3)9(5-7(6)2)10(15)11(12,13)14/h4-5,10H,15H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine?
2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 217.23 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 77128155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).