4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile

C16H15FN2 — CID 54934414

IUPAC4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1NCCc1ccccc1F
InChIInChI=1S/C16H15FN2/c1-12-10-13(11-18)6-7-16(12)19-9-8-14-4-2-3-5-15(14)17/h2-7,10,19H,8-9H2,1H3
InChIKeyZFBQLHOHGSRPKR-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.66
Rot. Bonds4

About 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile

4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile (PubChem CID 54934414) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
PubChem CID54934414
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1NCCc1ccccc1F
InChIInChI=1S/C16H15FN2/c1-12-10-13(11-18)6-7-16(12)19-9-8-14-4-2-3-5-15(14)17/h2-7,10,19H,8-9H2,1H3
InChIKeyZFBQLHOHGSRPKR-UHFFFAOYSA-N
XLogP3.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile 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-bromo-4-[2-(2-methylphenyl)ethylamino]benzonitrile
CID 82798535
4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
CID 133302391
2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 32682078
2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 107106323
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
3-methyl-4-(2-methylsulfanylethylamino)benzonitrile
CID 63965457
3-methyl-4-(2,2,2-trifluoroethylamino)benzonitrile
CID 60930131
2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554439
4-methyl-3-(2-phenylethylamino)benzonitrile
CID 62103349
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
The IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile (CID 54934414) is 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile is Cc1cc(C#N)ccc1NCCc1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
The InChIKey is ZFBQLHOHGSRPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-12-10-13(11-18)6-7-16(12)19-9-8-14-4-2-3-5-15(14)17/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile is sourced from PubChem (CID 54934414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).