2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline

C14H13F3N2 — CID 66478762

IUPAC2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1ccncc1
InChIInChI=1S/C14H13F3N2/c1-10-2-3-12(14(15,16)17)8-13(10)19-9-11-4-6-18-7-5-11/h2-8,19H,9H2,1H3
InChIKeyBHAGTISVTBYXAN-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline

2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 66478762) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
PubChem CID66478762
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1ccncc1
InChIInChI=1S/C14H13F3N2/c1-10-2-3-12(14(15,16)17)8-13(10)19-9-11-4-6-18-7-5-11/h2-8,19H,9H2,1H3
InChIKeyBHAGTISVTBYXAN-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919984
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline
CID 81313173
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478947
4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline (CID 66478762) is 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NCc1ccncc1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is BHAGTISVTBYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-10-2-3-12(14(15,16)17)8-13(10)19-9-11-4-6-18-7-5-11/h2-8,19H,9H2,1H3.
What are the key properties of 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline?
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline has a molecular weight of 266.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66478762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).