4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine

C15H16F3N3 — CID 172994056

IUPAC4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCNCc1cc(-c2cc(C)cc(N)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-9-3-13(21-14(19)4-9)11-5-10(8-20-2)6-12(7-11)15(16,17)18/h3-7,20H,8H2,1-2H3,(H2,19,21)
InChIKeyYJIPEJKUMNDXSN-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.38
Rot. Bonds3

About 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine

4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 172994056) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID172994056
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCNCc1cc(-c2cc(C)cc(N)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-9-3-13(21-14(19)4-9)11-5-10(8-20-2)6-12(7-11)15(16,17)18/h3-7,20H,8H2,1-2H3,(H2,19,21)
InChIKeyYJIPEJKUMNDXSN-UHFFFAOYSA-N
XLogP3.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine (CID 172994056) is 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine is CNCc1cc(-c2cc(C)cc(N)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is YJIPEJKUMNDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9-3-13(21-14(19)4-9)11-5-10(8-20-2)6-12(7-11)15(16,17)18/h3-7,20H,8H2,1-2H3,(H2,19,21).
What are the key properties of 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine?
4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 172994056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).