5-fluoro-2-(2-phenoxyethylamino)benzonitrile

C15H13FN2O — CID 63674810

IUPAC5-fluoro-2-(2-phenoxyethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCCOc1ccccc1
InChIInChI=1S/C15H13FN2O/c16-13-6-7-15(12(10-13)11-17)18-8-9-19-14-4-2-1-3-5-14/h1-7,10,18H,8-9H2
InChIKeyJUGPCVOBVUQFOZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.19
Rot. Bonds5

About 5-fluoro-2-(2-phenoxyethylamino)benzonitrile

5-fluoro-2-(2-phenoxyethylamino)benzonitrile (PubChem CID 63674810) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-phenoxyethylamino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2-phenoxyethylamino)benzonitrile
PubChem CID63674810
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-fluoro-2-(2-phenoxyethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCCOc1ccccc1
InChIInChI=1S/C15H13FN2O/c16-13-6-7-15(12(10-13)11-17)18-8-9-19-14-4-2-1-3-5-14/h1-7,10,18H,8-9H2
InChIKeyJUGPCVOBVUQFOZ-UHFFFAOYSA-N
XLogP3.19
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2-phenoxyethylamino)benzonitrile
CID 55013137
5-chloro-2-(3-phenoxypropylamino)benzonitrile
CID 62492672
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
CID 54939816
5-fluoro-2-(2-phenylethylamino)benzonitrile
CID 63672929
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
5-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzonitrile
CID 63827205
2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile
CID 63828077
3-(2-cyano-4-fluorophenyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 78839739
2-amino-3-(2-phenoxyethylamino)benzonitrile
CID 104716563
2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
CID 106236966
2-[2-(3-bromophenoxy)ethylamino]benzonitrile
CID 60731326
5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
CID 63869672

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-phenoxyethylamino)benzonitrile?
The IUPAC name of 5-fluoro-2-(2-phenoxyethylamino)benzonitrile (CID 63674810) is 5-fluoro-2-(2-phenoxyethylamino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(2-phenoxyethylamino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(2-phenoxyethylamino)benzonitrile is N#Cc1cc(F)ccc1NCCOc1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-phenoxyethylamino)benzonitrile?
The InChIKey is JUGPCVOBVUQFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-6-7-15(12(10-13)11-17)18-8-9-19-14-4-2-1-3-5-14/h1-7,10,18H,8-9H2.
What are the key properties of 5-fluoro-2-(2-phenoxyethylamino)benzonitrile?
5-fluoro-2-(2-phenoxyethylamino)benzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-phenoxyethylamino)benzonitrile is sourced from PubChem (CID 63674810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).