2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

C15H15F3N2O — CID 43706278

IUPAC2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-2-21-14-13(4-3-9-19-14)20-10-11-5-7-12(8-6-11)15(16,17)18/h3-9,20H,2,10H2,1H3
InChIKeyFVLLBFXOQWAHIQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.11
Rot. Bonds5

About 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (PubChem CID 43706278) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
PubChem CID43706278
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-2-21-14-13(4-3-9-19-14)20-10-11-5-7-12(8-6-11)15(16,17)18/h3-9,20H,2,10H2,1H3
InChIKeyFVLLBFXOQWAHIQ-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (CID 43706278) is 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is CCOc1ncccc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The InChIKey is FVLLBFXOQWAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-2-21-14-13(4-3-9-19-14)20-10-11-5-7-12(8-6-11)15(16,17)18/h3-9,20H,2,10H2,1H3.
What are the key properties of 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine has a molecular weight of 296.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 43706278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).