2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile

C25H31FN2 — CID 21181931

IUPAC2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccccc1F)C1CC1)CCc1ccccc1
InChIInChI=1S/C25H31FN2/c1-2-17-28(19-15-21-9-4-3-5-10-21)18-8-16-25(20-27,22-13-14-22)23-11-6-7-12-24(23)26/h3-7,9-12,22H,2,8,13-19H2,1H3
InChIKeyJKPDAJWVBQZEIH-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.73
Rot. Bonds11

About 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile

2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile (PubChem CID 21181931) has the molecular formula C25H31FN2 and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
PubChem CID21181931
Molecular FormulaC25H31FN2
Molecular Weight378.54 g/mol
Exact Mass378.25
IUPAC Name2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccccc1F)C1CC1)CCc1ccccc1
InChIInChI=1S/C25H31FN2/c1-2-17-28(19-15-21-9-4-3-5-10-21)18-8-16-25(20-27,22-13-14-22)23-11-6-7-12-24(23)26/h3-7,9-12,22H,2,8,13-19H2,1H3
InChIKeyJKPDAJWVBQZEIH-UHFFFAOYSA-N
XLogP5.73
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]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

2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181905
2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 21181308
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]hexanenitrile
CID 21181718
5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
CID 21181279
2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181334
2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 21181405
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)pentanenitrile
CID 21181394
2-cyclopentyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181502
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)pentanenitrile
CID 21181655
2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181190
5-[benzyl(propyl)amino]-2-cyclopropyl-2-(2,6-dibromophenyl)pentanenitrile
CID 21181447
2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181963

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
The IUPAC name of 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile (CID 21181931) is 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile is CCCN(CCCC(C#N)(c1ccccc1F)C1CC1)CCc1ccccc1.
What is the InChIKey of 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
The InChIKey is JKPDAJWVBQZEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2/c1-2-17-28(19-15-21-9-4-3-5-10-21)18-8-16-25(20-27,22-13-14-22)23-11-6-7-12-24(23)26/h3-7,9-12,22H,2,8,13-19H2,1H3.
What are the key properties of 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile has a molecular weight of 378.54 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile is sourced from PubChem (CID 21181931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).