1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine

C11H14F3N — CID 43483752

IUPAC1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(C)ccc1C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7-4-5-8(2)9(6-7)10(15-3)11(12,13)14/h4-6,10,15H,1-3H3
InChIKeyOEGXXFPPEIMTMG-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.13
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine

1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 43483752) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID43483752
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(C)ccc1C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7-4-5-8(2)9(6-7)10(15-3)11(12,13)14/h4-6,10,15H,1-3H3
InChIKeyOEGXXFPPEIMTMG-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(2,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79198023
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949958
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
4-(2,5-dimethylphenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953536
1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310547
1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 115483827
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene
CID 130605234
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43483979

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine (CID 43483752) is 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1cc(C)ccc1C)C(F)(F)F.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is OEGXXFPPEIMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7-4-5-8(2)9(6-7)10(15-3)11(12,13)14/h4-6,10,15H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 217.23 g/mol, XLogP of 3.13, 2 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-trifluoro-N-methylethanamine is sourced from PubChem (CID 43483752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).