2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile

C24H27F3N2 — CID 21181405

IUPAC2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
SMILESCN(CCCC(C#N)(c1ccccc1C(F)(F)F)C1CC1)CCc1ccccc1
InChIInChI=1S/C24H27F3N2/c1-29(17-14-19-8-3-2-4-9-19)16-7-15-23(18-28,20-12-13-20)21-10-5-6-11-22(21)24(25,26)27/h2-6,8-11,20H,7,12-17H2,1H3
InChIKeyJJDZJDJOKDUPTG-UHFFFAOYSA-N
MW400.49 g/mol
LogP5.83
Rot. Bonds9

About 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile

2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile (PubChem CID 21181405) has the molecular formula C24H27F3N2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
PubChem CID21181405
Molecular FormulaC24H27F3N2
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
SMILESCN(CCCC(C#N)(c1ccccc1C(F)(F)F)C1CC1)CCc1ccccc1
InChIInChI=1S/C24H27F3N2/c1-29(17-14-19-8-3-2-4-9-19)16-7-15-23(18-28,20-12-13-20)21-10-5-6-11-22(21)24(25,26)27/h2-6,8-11,20H,7,12-17H2,1H3
InChIKeyJJDZJDJOKDUPTG-UHFFFAOYSA-N
XLogP5.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]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-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 21181308
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428274
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile
CID 21181444
5-[benzyl(propan-2-yl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428269
2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181931
2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181190
2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181963
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181905
5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
CID 21181279
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile
CID 154428253
5-[benzyl(methyl)amino]-2-cyclopentyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile
CID 21181361

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile?
The IUPAC name of 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile (CID 21181405) is 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile.
What is the SMILES notation for 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile?
The canonical SMILES for 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile is CN(CCCC(C#N)(c1ccccc1C(F)(F)F)C1CC1)CCc1ccccc1.
What is the InChIKey of 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile?
The InChIKey is JJDZJDJOKDUPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2/c1-29(17-14-19-8-3-2-4-9-19)16-7-15-23(18-28,20-12-13-20)21-10-5-6-11-22(21)24(25,26)27/h2-6,8-11,20H,7,12-17H2,1H3.
What are the key properties of 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile?
2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile has a molecular weight of 400.49 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile is sourced from PubChem (CID 21181405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).