(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine

C15H15F3N2 — CID 107503114

IUPAC(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(C(F)(F)F)c2)cc(C)n1
InChIInChI=1S/C15H15F3N2/c1-9-6-12(7-10(2)20-9)14(19)11-4-3-5-13(8-11)15(16,17)18/h3-8,14H,19H2,1-2H3
InChIKeyXELNXKHECGXNSX-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.77
Rot. Bonds2

About (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine

(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107503114) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID107503114
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(C(F)(F)F)c2)cc(C)n1
InChIInChI=1S/C15H15F3N2/c1-9-6-12(7-10(2)20-9)14(19)11-4-3-5-13(8-11)15(16,17)18/h3-8,14H,19H2,1-2H3
InChIKeyXELNXKHECGXNSX-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 81157473
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 102803479
(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503111
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(1S)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
CID 97000209

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 107503114) is (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(N)c2cccc(C(F)(F)F)c2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XELNXKHECGXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-9-6-12(7-10(2)20-9)14(19)11-4-3-5-13(8-11)15(16,17)18/h3-8,14H,19H2,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 280.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107503114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).