N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline

C15H15F3N2 — CID 110454688

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-20(10-7-12-5-8-19-9-6-12)14-4-2-3-13(11-14)15(16,17)18/h2-6,8-9,11H,7,10H2,1H3
InChIKeyDGTFQDULEBPWAZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.78
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline

N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline (PubChem CID 110454688) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
PubChem CID110454688
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-20(10-7-12-5-8-19-9-6-12)14-4-2-3-13(11-14)15(16,17)18/h2-6,8-9,11H,7,10H2,1H3
InChIKeyDGTFQDULEBPWAZ-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 154882630
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985634
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767255
[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
CID 62134201
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989320

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline (CID 110454688) is N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline is CN(CCc1ccncc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is DGTFQDULEBPWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-20(10-7-12-5-8-19-9-6-12)14-4-2-3-13(11-14)15(16,17)18/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 280.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 110454688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).