4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline

C15H15F3N2 — CID 81312578

IUPAC4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2ccc(C)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2/c1-10-3-5-13(19-8-10)9-20-12-6-4-11(2)14(7-12)15(16,17)18/h3-8,20H,9H2,1-2H3
InChIKeyHVENBHCGWFYWPJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.33
Rot. Bonds3

About 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline

4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 81312578) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
PubChem CID81312578
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2ccc(C)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2/c1-10-3-5-13(19-8-10)9-20-12-6-4-11(2)14(7-12)15(16,17)18/h3-8,20H,9H2,1-2H3
InChIKeyHVENBHCGWFYWPJ-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline (CID 81312578) is 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline is Cc1ccc(CNc2ccc(C)c(C(F)(F)F)c2)nc1.
What is the InChIKey of 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is HVENBHCGWFYWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-3-5-13(19-8-10)9-20-12-6-4-11(2)14(7-12)15(16,17)18/h3-8,20H,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline?
4-methyl-N-[(5-methyl-2-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-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81312578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).