1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride

C10H13ClF3N — CID 175668922

IUPAC1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCc1ccc(C)c(C(N)C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-6-3-4-7(2)8(5-6)9(14)10(11,12)13;/h3-5,9H,14H2,1-2H3;1H
InChIKeyXQAFDQZRTHHAOF-UHFFFAOYSA-N
MW239.67 g/mol
LogP3.29
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride

1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 175668922) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID175668922
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCc1ccc(C)c(C(N)C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-6-3-4-7(2)8(5-6)9(14)10(11,12)13;/h3-5,9H,14H2,1-2H3;1H
InChIKeyXQAFDQZRTHHAOF-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171243758
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171250488
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493
2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
CID 77128155
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methylbenzonitrile
CID 66510993
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 43483752
1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310547
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
(1S)-2,2,2-trifluoro-1-(4-methyl-2-nitrophenyl)ethanamine
CID 66510237
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 175668922) is 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride is Cc1ccc(C)c(C(N)C(F)(F)F)c1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is XQAFDQZRTHHAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.ClH/c1-6-3-4-7(2)8(5-6)9(14)10(11,12)13;/h3-5,9H,14H2,1-2H3;1H.
What are the key properties of 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 175668922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).