4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline

C15H15F3N2 — CID 102880807

IUPAC4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1cncc(CNc2ccc(C)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H15F3N2/c1-10-5-12(8-19-7-10)9-20-13-4-3-11(2)14(6-13)15(16,17)18/h3-8,20H,9H2,1-2H3
InChIKeyVNMYXIATTHLXRR-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.33
Rot. Bonds3

About 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline

4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 102880807) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
PubChem CID102880807
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1cncc(CNc2ccc(C)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H15F3N2/c1-10-5-12(8-19-7-10)9-20-13-4-3-11(2)14(6-13)15(16,17)18/h3-8,20H,9H2,1-2H3
InChIKeyVNMYXIATTHLXRR-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-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459
4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 81312578
4-methyl-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66410286
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline
CID 102881103
4-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)aniline
CID 66117500
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731
N-(3,3-dimethylbutyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455402
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
4-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63645341
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
CID 104796669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline (CID 102880807) is 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline is Cc1cncc(CNc2ccc(C)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is VNMYXIATTHLXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-5-12(8-19-7-10)9-20-13-4-3-11(2)14(6-13)15(16,17)18/h3-8,20H,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(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 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 102880807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).