2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine

C18H19F3N2O — CID 56708409

IUPAC2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESCc1cc(CN2CCCC2)cc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C18H19F3N2O/c1-13-8-14(12-23-6-2-3-7-23)10-16(9-13)24-17-5-4-15(11-22-17)18(19,20)21/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKeyVVEYFIBRUILLKN-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.80
Rot. Bonds4

About 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine

2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 56708409) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine
PubChem CID56708409
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESCc1cc(CN2CCCC2)cc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C18H19F3N2O/c1-13-8-14(12-23-6-2-3-7-23)10-16(9-13)24-17-5-4-15(11-22-17)18(19,20)21/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKeyVVEYFIBRUILLKN-UHFFFAOYSA-N
XLogP4.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine (CID 56708409) is 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine is Cc1cc(CN2CCCC2)cc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is VVEYFIBRUILLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-13-8-14(12-23-6-2-3-7-23)10-16(9-13)24-17-5-4-15(11-22-17)18(19,20)21/h4-5,8-11H,2-3,6-7,12H2,1H3.
What are the key properties of 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine?
2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 336.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 56708409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).