N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine

C15H15F3N2O — CID 123240855

IUPACN-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1cc(C(F)(F)F)c(Oc2ccccc2)cn1
InChIInChI=1S/C15H15F3N2O/c1-10(19-2)13-8-12(15(16,17)18)14(9-20-13)21-11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyWQRANNZRSDXLHA-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.17
Rot. Bonds4

About N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine

N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 123240855) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID123240855
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1cc(C(F)(F)F)c(Oc2ccccc2)cn1
InChIInChI=1S/C15H15F3N2O/c1-10(19-2)13-8-12(15(16,17)18)14(9-20-13)21-11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyWQRANNZRSDXLHA-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 123240855) is N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine is CNC(C)c1cc(C(F)(F)F)c(Oc2ccccc2)cn1.
What is the InChIKey of N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is WQRANNZRSDXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10(19-2)13-8-12(15(16,17)18)14(9-20-13)21-11-6-4-3-5-7-11/h3-10,19H,1-2H3.
What are the key properties of N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-phenoxy-4-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 123240855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).