2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile

C19H20F2N2 — CID 70242162

IUPAC2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile
SMILESCC(NCCCC(C#N)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2/c1-14(15-4-8-18(20)9-5-15)23-12-2-3-17(13-22)16-6-10-19(21)11-7-16/h4-11,14,17,23H,2-3,12H2,1H3
InChIKeyHFZAXADKVDRGMD-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.70
Rot. Bonds7

About 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile

2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile (PubChem CID 70242162) has the molecular formula C19H20F2N2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile
PubChem CID70242162
Molecular FormulaC19H20F2N2
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile
SMILESCC(NCCCC(C#N)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2/c1-14(15-4-8-18(20)9-5-15)23-12-2-3-17(13-22)16-6-10-19(21)11-7-16/h4-11,14,17,23H,2-3,12H2,1H3
InChIKeyHFZAXADKVDRGMD-UHFFFAOYSA-N
XLogP4.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile 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

4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butanenitrile
CID 81348362
N-[1-(4-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43180866
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
4-[1-(5-methylhexylamino)ethyl]benzonitrile
CID 79040522

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile (CID 70242162) is 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile is CC(NCCCC(C#N)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile?
The InChIKey is HFZAXADKVDRGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2/c1-14(15-4-8-18(20)9-5-15)23-12-2-3-17(13-22)16-6-10-19(21)11-7-16/h4-11,14,17,23H,2-3,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile?
2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile has a molecular weight of 314.38 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile is sourced from PubChem (CID 70242162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).