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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Related Compounds

CID 3075610
CID 3075610
CID 3075611
CID 3075611
CID 1481967
CID 1481967
CID 73050850
CID 73050850
CID 16077296
CID 16077296
CID 3126242
CID 3126242
CID 789665
CID 789665
CID 453054
CID 453054
CID 1719430
CID 1719430
CID 71528209
CID 71528209
CID 162662563
CID 162662563
CID 2058335
CID 2058335

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).