2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile

C15H13FN2O — CID 43580283

IUPAC2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
SMILESCC(Nc1cccc(F)c1C#N)c1ccccc1O
InChIInChI=1S/C15H13FN2O/c1-10(11-5-2-3-8-15(11)19)18-14-7-4-6-13(16)12(14)9-17/h2-8,10,18-19H,1H3
InChIKeyQACJYJPATIJIIG-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.58
Rot. Bonds3

About 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile

2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile (PubChem CID 43580283) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
PubChem CID43580283
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
SMILESCC(Nc1cccc(F)c1C#N)c1ccccc1O
InChIInChI=1S/C15H13FN2O/c1-10(11-5-2-3-8-15(11)19)18-14-7-4-6-13(16)12(14)9-17/h2-8,10,18-19H,1H3
InChIKeyQACJYJPATIJIIG-UHFFFAOYSA-N
XLogP3.58
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile
CID 43399542
2-fluoro-6-[1-(2-methoxyphenyl)ethylamino]benzonitrile
CID 43398727
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 43399529
3-fluoro-5-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzonitrile
CID 43728427
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
2-fluoro-6-(4-methylpentan-2-ylamino)benzonitrile
CID 43580259
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
CID 43580684
2-fluoro-6-(2-methylpentan-3-ylamino)benzonitrile
CID 43778303
2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
CID 43580682
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 43580253

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile (CID 43580283) is 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile is CC(Nc1cccc(F)c1C#N)c1ccccc1O.
What is the InChIKey of 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile?
The InChIKey is QACJYJPATIJIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10(11-5-2-3-8-15(11)19)18-14-7-4-6-13(16)12(14)9-17/h2-8,10,18-19H,1H3.
What are the key properties of 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile?
2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 43580283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).