2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline

C15H15F3N2 — CID 81313173

IUPAC2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2cc(C(F)(F)F)ccc2C)nc1
InChIInChI=1S/C15H15F3N2/c1-10-3-6-13(19-8-10)9-20-14-7-12(15(16,17)18)5-4-11(14)2/h3-8,20H,9H2,1-2H3
InChIKeyJIPGNQOZXZPGFR-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.33
Rot. Bonds3

About 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline

2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 81313173) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID81313173
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2cc(C(F)(F)F)ccc2C)nc1
InChIInChI=1S/C15H15F3N2/c1-10-3-6-13(19-8-10)9-20-14-7-12(15(16,17)18)5-4-11(14)2/h3-8,20H,9H2,1-2H3
InChIKeyJIPGNQOZXZPGFR-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 81312578
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478947
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 81311267
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline (CID 81313173) is 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline is Cc1ccc(CNc2cc(C(F)(F)F)ccc2C)nc1.
What is the InChIKey of 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is JIPGNQOZXZPGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-3-6-13(19-8-10)9-20-14-7-12(15(16,17)18)5-4-11(14)2/h3-8,20H,9H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 280.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 81313173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).