N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine

C20H19FN2O2 — CID 89025918

IUPACN-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine
SMILESFCCOc1ccccc1CNc1cccnc1Oc1ccccc1
InChIInChI=1S/C20H19FN2O2/c21-12-14-24-19-11-5-4-7-16(19)15-23-18-10-6-13-22-20(18)25-17-8-2-1-3-9-17/h1-11,13,23H,12,14-15H2
InChIKeyDFVZEWRPOJDUKZ-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.83
Rot. Bonds8

About N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine

N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine (PubChem CID 89025918) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine
PubChem CID89025918
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine
SMILESFCCOc1ccccc1CNc1cccnc1Oc1ccccc1
InChIInChI=1S/C20H19FN2O2/c21-12-14-24-19-11-5-4-7-16(19)15-23-18-10-6-13-22-20(18)25-17-8-2-1-3-9-17/h1-11,13,23H,12,14-15H2
InChIKeyDFVZEWRPOJDUKZ-UHFFFAOYSA-N
XLogP4.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine?
The IUPAC name of N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine (CID 89025918) is N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine.
What is the SMILES notation for N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine?
The canonical SMILES for N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine is FCCOc1ccccc1CNc1cccnc1Oc1ccccc1.
What is the InChIKey of N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine?
The InChIKey is DFVZEWRPOJDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-12-14-24-19-11-5-4-7-16(19)15-23-18-10-6-13-22-20(18)25-17-8-2-1-3-9-17/h1-11,13,23H,12,14-15H2.
What are the key properties of N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine?
N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine has a molecular weight of 338.38 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine is sourced from PubChem (CID 89025918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).