[2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine

C20H17F3N2O2 — CID 122516911

IUPAC[2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(COc3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)18-10-15(12-24)11-19(25-18)27-17-8-4-5-14(9-17)13-26-16-6-2-1-3-7-16/h1-11H,12-13,24H2
InChIKeySAHIZENKTPRYSN-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.93
Rot. Bonds6

About [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine

[2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 122516911) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID122516911
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name[2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(COc3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)18-10-15(12-24)11-19(25-18)27-17-8-4-5-14(9-17)13-26-16-6-2-1-3-7-16/h1-11H,12-13,24H2
InChIKeySAHIZENKTPRYSN-UHFFFAOYSA-N
XLogP4.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine (CID 122516911) is [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(Oc2cccc(COc3ccccc3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is SAHIZENKTPRYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)18-10-15(12-24)11-19(25-18)27-17-8-4-5-14(9-17)13-26-16-6-2-1-3-7-16/h1-11H,12-13,24H2.
What are the key properties of [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 374.36 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(phenoxymethyl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 122516911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).