2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine

C20H19FN2O — CID 11359162

IUPAC2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine
SMILESCc1cc(N(C)C)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H19FN2O/c1-14-12-17(23(2)3)13-20(22-14)15-4-8-18(9-5-15)24-19-10-6-16(21)7-11-19/h4-13H,1-3H3
InChIKeyMNOPSOKZBXWBPH-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.05
Rot. Bonds4

About 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine

2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine (PubChem CID 11359162) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine
PubChem CID11359162
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine
SMILESCc1cc(N(C)C)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H19FN2O/c1-14-12-17(23(2)3)13-20(22-14)15-4-8-18(9-5-15)24-19-10-6-16(21)7-11-19/h4-13H,1-3H3
InChIKeyMNOPSOKZBXWBPH-UHFFFAOYSA-N
XLogP5.05
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine (CID 11359162) is 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine is Cc1cc(N(C)C)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine?
The InChIKey is MNOPSOKZBXWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-14-12-17(23(2)3)13-20(22-14)15-4-8-18(9-5-15)24-19-10-6-16(21)7-11-19/h4-13H,1-3H3.
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine?
2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine has a molecular weight of 322.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-N,N,6-trimethylpyridin-4-amine is sourced from PubChem (CID 11359162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).