3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine

C18H15FN2O — CID 66747622

IUPAC3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine
SMILESCc1cc(F)ccc1Oc1ccc(-c2cccnc2N)cc1
InChIInChI=1S/C18H15FN2O/c1-12-11-14(19)6-9-17(12)22-15-7-4-13(5-8-15)16-3-2-10-21-18(16)20/h2-11H,1H3,(H2,20,21)
InChIKeyPEALYRTVJLGJCY-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.57
Rot. Bonds3

About 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine

3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine (PubChem CID 66747622) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine
PubChem CID66747622
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine
SMILESCc1cc(F)ccc1Oc1ccc(-c2cccnc2N)cc1
InChIInChI=1S/C18H15FN2O/c1-12-11-14(19)6-9-17(12)22-15-7-4-13(5-8-15)16-3-2-10-21-18(16)20/h2-11H,1H3,(H2,20,21)
InChIKeyPEALYRTVJLGJCY-UHFFFAOYSA-N
XLogP4.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine (CID 66747622) is 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine is Cc1cc(F)ccc1Oc1ccc(-c2cccnc2N)cc1.
What is the InChIKey of 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine?
The InChIKey is PEALYRTVJLGJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-12-11-14(19)6-9-17(12)22-15-7-4-13(5-8-15)16-3-2-10-21-18(16)20/h2-11H,1H3,(H2,20,21).
What are the key properties of 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine?
3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine has a molecular weight of 294.33 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 66747622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).