5-fluoro-2-(2-phenylethylamino)benzonitrile

C15H13FN2 — CID 63672929

IUPAC5-fluoro-2-(2-phenylethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCCc1ccccc1
InChIInChI=1S/C15H13FN2/c16-14-6-7-15(13(10-14)11-17)18-9-8-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2
InChIKeyGSPNOJIKDHBCPT-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.35
Rot. Bonds4

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

5-fluoro-2-(2-phenylethylamino)benzonitrile (PubChem CID 63672929) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-phenylethylamino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2-phenylethylamino)benzonitrile
PubChem CID63672929
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name5-fluoro-2-(2-phenylethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCCc1ccccc1
InChIInChI=1S/C15H13FN2/c16-14-6-7-15(13(10-14)11-17)18-9-8-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2
InChIKeyGSPNOJIKDHBCPT-UHFFFAOYSA-N
XLogP3.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-(2-phenylethylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-4-(2-phenylethylamino)benzonitrile
CID 107933230
5-fluoro-2-(2-phenoxyethylamino)benzonitrile
CID 63674810
2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile
CID 116789232
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
2-[[4-(2-aminoethyl)phenyl]methylamino]-5-fluorobenzonitrile
CID 63674991
2-chloro-5-(2-phenylethylamino)benzonitrile
CID 43425627
5-fluoro-2-(2-methylsulfinylethylamino)benzonitrile
CID 115657623
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
2-[(3-aminophenyl)methylamino]-5-fluorobenzonitrile
CID 63674317
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
2-[3-(dimethylamino)propylamino]-5-fluorobenzonitrile
CID 63673438
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-phenylethylamino)benzonitrile?
The IUPAC name of 5-fluoro-2-(2-phenylethylamino)benzonitrile (CID 63672929) is 5-fluoro-2-(2-phenylethylamino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(2-phenylethylamino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(2-phenylethylamino)benzonitrile is N#Cc1cc(F)ccc1NCCc1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-phenylethylamino)benzonitrile?
The InChIKey is GSPNOJIKDHBCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-14-6-7-15(13(10-14)11-17)18-9-8-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2.
What are the key properties of 5-fluoro-2-(2-phenylethylamino)benzonitrile?
5-fluoro-2-(2-phenylethylamino)benzonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-phenylethylamino)benzonitrile is sourced from PubChem (CID 63672929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).