2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C16H23F3N2 — CID 107521572

IUPAC2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCC(C)N(CC(N)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2/c1-11-7-8-12(2)21(9-11)10-15(20)13-5-3-4-6-14(13)16(17,18)19/h3-6,11-12,15H,7-10,20H2,1-2H3
InChIKeyYUWLOTFJRSGARY-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.83
Rot. Bonds3

About 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107521572) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID107521572
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCC(C)N(CC(N)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2/c1-11-7-8-12(2)21(9-11)10-15(20)13-5-3-4-6-14(13)16(17,18)19/h3-6,11-12,15H,7-10,20H2,1-2H3
InChIKeyYUWLOTFJRSGARY-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 103575451
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115997940
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 54881939
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 103345448
6-methyl-1-[3-[2-(trifluoromethyl)phenyl]butanoyl]piperidine-3-carboxylic acid
CID 122113516
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 107521572) is 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is CC1CCC(C)N(CC(N)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YUWLOTFJRSGARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-11-7-8-12(2)21(9-11)10-15(20)13-5-3-4-6-14(13)16(17,18)19/h3-6,11-12,15H,7-10,20H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107521572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).