[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine

C15H15F3N2O — CID 90390025

IUPAC[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
SMILESCCOc1cc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H15F3N2O/c1-2-21-14-8-10(9-19)7-13(20-14)11-3-5-12(6-4-11)15(16,17)18/h3-8H,2,9,19H2,1H3
InChIKeyGCLALSSQYRNHMT-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.62
Rot. Bonds4

About [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine

[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine (PubChem CID 90390025) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
PubChem CID90390025
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
SMILESCCOc1cc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H15F3N2O/c1-2-21-14-8-10(9-19)7-13(20-14)11-3-5-12(6-4-11)15(16,17)18/h3-8H,2,9,19H2,1H3
InChIKeyGCLALSSQYRNHMT-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
The IUPAC name of [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine (CID 90390025) is [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
The canonical SMILES for [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine is CCOc1cc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
The InChIKey is GCLALSSQYRNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-2-21-14-8-10(9-19)7-13(20-14)11-3-5-12(6-4-11)15(16,17)18/h3-8H,2,9,19H2,1H3.
What are the key properties of [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine has a molecular weight of 296.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine is sourced from PubChem (CID 90390025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).