2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile

C16H15FN2 — CID 115367607

IUPAC2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile
SMILESCN(CCc1ccccc1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C16H15FN2/c1-19(10-9-13-5-3-2-4-6-13)15-8-7-14(12-18)16(17)11-15/h2-8,11H,9-10H2,1H3
InChIKeySBYWXPBWSCUORI-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.38
Rot. Bonds4

About 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile

2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile (PubChem CID 115367607) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile
PubChem CID115367607
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile
SMILESCN(CCc1ccccc1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C16H15FN2/c1-19(10-9-13-5-3-2-4-6-13)15-8-7-14(12-18)16(17)11-15/h2-8,11H,9-10H2,1H3
InChIKeySBYWXPBWSCUORI-UHFFFAOYSA-N
XLogP3.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-[methyl(2-phenylethyl)amino]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-[methyl(2-phenylethyl)amino]benzonitrile
CID 102816672
4-(dipropylamino)-2-fluorobenzonitrile
CID 115366969
2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
CID 113295659
3-[methyl(4-phenylbutyl)amino]benzonitrile
CID 114333608
2-fluoro-4-(4-phenylbutoxy)benzonitrile
CID 114335058
2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 113295571
2-fluoro-4-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551917
4-[bis(2-ethoxyethyl)amino]-2-fluorobenzonitrile
CID 82966288
4-[methyl(2-phenylethyl)amino]benzenecarbothioamide
CID 62971229
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385
2-[2-amino-5-[methyl(3-phenylpropyl)amino]phenyl]acetonitrile
CID 102623928
2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 115124006

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile?
The IUPAC name of 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile (CID 115367607) is 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile is CN(CCc1ccccc1)c1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile?
The InChIKey is SBYWXPBWSCUORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-19(10-9-13-5-3-2-4-6-13)15-8-7-14(12-18)16(17)11-15/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile?
2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile is sourced from PubChem (CID 115367607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).