2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine

C18H19F3N2O2 — CID 56718341

IUPAC2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(Oc2ncccc2C(F)(F)F)cc1CN1CCCC1
InChIInChI=1S/C18H19F3N2O2/c1-24-16-7-6-14(11-13(16)12-23-9-2-3-10-23)25-17-15(18(19,20)21)5-4-8-22-17/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyBUXNUQSKCFFANO-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.50
Rot. Bonds5

About 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine

2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine (PubChem CID 56718341) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine
PubChem CID56718341
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(Oc2ncccc2C(F)(F)F)cc1CN1CCCC1
InChIInChI=1S/C18H19F3N2O2/c1-24-16-7-6-14(11-13(16)12-23-9-2-3-10-23)25-17-15(18(19,20)21)5-4-8-22-17/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyBUXNUQSKCFFANO-UHFFFAOYSA-N
XLogP4.50
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine (CID 56718341) is 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine is COc1ccc(Oc2ncccc2C(F)(F)F)cc1CN1CCCC1.
What is the InChIKey of 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine?
The InChIKey is BUXNUQSKCFFANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-24-16-7-6-14(11-13(16)12-23-9-2-3-10-23)25-17-15(18(19,20)21)5-4-8-22-17/h4-8,11H,2-3,9-10,12H2,1H3.
What are the key properties of 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine?
2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine has a molecular weight of 352.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 56718341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).