3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine

C12H15F4N — CID 106877928

IUPAC3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H15F4N/c1-7-4-9(13)5-8(2)11(7)10(17-3)6-12(14,15)16/h4-5,10,17H,6H2,1-3H3
InChIKeyVYDBVAFVCRVHAV-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.66
Rot. Bonds3

About 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine

3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 106877928) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID106877928
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H15F4N/c1-7-4-9(13)5-8(2)11(7)10(17-3)6-12(14,15)16/h4-5,10,17H,6H2,1-3H3
InChIKeyVYDBVAFVCRVHAV-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
3,3,3-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299193
1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 107513221
3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302130
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
2-(1-bromo-3,3-dimethylbutyl)-5-fluoro-1,3-dimethylbenzene
CID 106880046
1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine
CID 106877607
4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43764950
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine (CID 106877928) is 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1c(C)cc(F)cc1C.
What is the InChIKey of 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is VYDBVAFVCRVHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N/c1-7-4-9(13)5-8(2)11(7)10(17-3)6-12(14,15)16/h4-5,10,17H,6H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 249.25 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 106877928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).