2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile

C15H13FN2O — CID 55018646

IUPAC2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OC(CN)c1ccccc1F
InChIInChI=1S/C15H13FN2O/c16-13-7-3-2-6-12(13)15(10-18)19-14-8-4-1-5-11(14)9-17/h1-8,15H,10,18H2
InChIKeyORAXWQINIZVIGO-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.78
Rot. Bonds4

About 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile

2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile (PubChem CID 55018646) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile
PubChem CID55018646
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OC(CN)c1ccccc1F
InChIInChI=1S/C15H13FN2O/c16-13-7-3-2-6-12(13)15(10-18)19-14-8-4-1-5-11(14)9-17/h1-8,15H,10,18H2
InChIKeyORAXWQINIZVIGO-UHFFFAOYSA-N
XLogP2.78
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile (CID 55018646) is 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile is N#Cc1ccccc1OC(CN)c1ccccc1F.
What is the InChIKey of 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile?
The InChIKey is ORAXWQINIZVIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-7-3-2-6-12(13)15(10-18)19-14-8-4-1-5-11(14)9-17/h1-8,15H,10,18H2.
What are the key properties of 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile?
2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile is sourced from PubChem (CID 55018646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).