3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline

C18H15FN2O — CID 22663586

IUPAC3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline
SMILESFc1ccccc1Oc1cccc(NCc2cccnc2)c1
InChIInChI=1S/C18H15FN2O/c19-17-8-1-2-9-18(17)22-16-7-3-6-15(11-16)21-13-14-5-4-10-20-12-14/h1-12,21H,13H2
InChIKeyNFLKYBGEMYSUPS-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.63
Rot. Bonds5

About 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline

3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 22663586) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline
PubChem CID22663586
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline
SMILESFc1ccccc1Oc1cccc(NCc2cccnc2)c1
InChIInChI=1S/C18H15FN2O/c19-17-8-1-2-9-18(17)22-16-7-3-6-15(11-16)21-13-14-5-4-10-20-12-14/h1-12,21H,13H2
InChIKeyNFLKYBGEMYSUPS-UHFFFAOYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline (CID 22663586) is 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline is Fc1ccccc1Oc1cccc(NCc2cccnc2)c1.
What is the InChIKey of 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is NFLKYBGEMYSUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-17-8-1-2-9-18(17)22-16-7-3-6-15(11-16)21-13-14-5-4-10-20-12-14/h1-12,21H,13H2.
What are the key properties of 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline?
3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 294.33 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 22663586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).