3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile

C16H15FN2 — CID 102815738

IUPAC3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccccc1C(C)Nc1cc(F)cc(C#N)c1
InChIInChI=1S/C16H15FN2/c1-11-5-3-4-6-16(11)12(2)19-15-8-13(10-18)7-14(17)9-15/h3-9,12,19H,1-2H3
InChIKeyKFSPZKGZOASBEI-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.18
Rot. Bonds3

About 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile

3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile (PubChem CID 102815738) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
PubChem CID102815738
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccccc1C(C)Nc1cc(F)cc(C#N)c1
InChIInChI=1S/C16H15FN2/c1-11-5-3-4-6-16(11)12(2)19-15-8-13(10-18)7-14(17)9-15/h3-9,12,19H,1-2H3
InChIKeyKFSPZKGZOASBEI-UHFFFAOYSA-N
XLogP4.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-[1-(2-methylphenyl)ethylamino]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

3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
CID 102815363
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
3-fluoro-5-(2-methylsulfanylanilino)benzonitrile
CID 107644883
4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81373534
methyl 2-(3-cyano-5-fluoroanilino)-2-phenylacetate
CID 102816133
3-fluoro-5-[2-[1-(propylamino)ethyl]phenyl]benzonitrile
CID 66423884
3-fluoro-5-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzonitrile
CID 43728427

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile?
The IUPAC name of 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile (CID 102815738) is 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile?
The canonical SMILES for 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile is Cc1ccccc1C(C)Nc1cc(F)cc(C#N)c1.
What is the InChIKey of 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile?
The InChIKey is KFSPZKGZOASBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11-5-3-4-6-16(11)12(2)19-15-8-13(10-18)7-14(17)9-15/h3-9,12,19H,1-2H3.
What are the key properties of 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile?
3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 102815738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).