N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine

C15H15F3N2O — CID 62296366

IUPACN-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-2-19-10-11-6-5-9-20-14(11)21-13-8-4-3-7-12(13)15(16,17)18/h3-9,19H,2,10H2,1H3
InChIKeyQQAAPYXCIFXKOU-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.00
Rot. Bonds5

About N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine

N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 62296366) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID62296366
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-2-19-10-11-6-5-9-20-14(11)21-13-8-4-3-7-12(13)15(16,17)18/h3-9,19H,2,10H2,1H3
InChIKeyQQAAPYXCIFXKOU-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine (CID 62296366) is N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is QQAAPYXCIFXKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-2-19-10-11-6-5-9-20-14(11)21-13-8-4-3-7-12(13)15(16,17)18/h3-9,19H,2,10H2,1H3.
What are the key properties of N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine?
N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62296366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).