5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile

C26H33F3N2 — CID 21181067

IUPAC5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccc(C(F)(F)F)cc1)C(C)C)CCc1ccccc1
InChIInChI=1S/C26H33F3N2/c1-4-17-31(19-15-22-9-6-5-7-10-22)18-8-16-25(20-30,21(2)3)23-11-13-24(14-12-23)26(27,28)29/h5-7,9-14,21H,4,8,15-19H2,1-3H3
InChIKeySVBJRHUFWZOTQP-UHFFFAOYSA-N
MW430.56 g/mol
LogP6.86
Rot. Bonds11

About 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile

5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile (PubChem CID 21181067) has the molecular formula C26H33F3N2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile.

Molecular Properties

Compound Name5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile
PubChem CID21181067
Molecular FormulaC26H33F3N2
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccc(C(F)(F)F)cc1)C(C)C)CCc1ccccc1
InChIInChI=1S/C26H33F3N2/c1-4-17-31(19-15-22-9-6-5-7-10-22)18-8-16-25(20-30,21(2)3)23-11-13-24(14-12-23)26(27,28)29/h5-7,9-14,21H,4,8,15-19H2,1-3H3
InChIKeySVBJRHUFWZOTQP-UHFFFAOYSA-N
XLogP6.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(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-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile
CID 21181373
5-[benzyl(propyl)amino]-2-(2-fluorophenyl)-2-propan-2-ylpentanenitrile
CID 21181154
5-[benzyl(methyl)amino]-2-(4-bromophenyl)-2-propan-2-ylpentanenitrile
CID 21181634
(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile
CID 129363501
(2S)-2-(3,5-dimethoxyphenyl)-5-[methyl(2-phenylethyl)amino]-2-propan-2-ylpentanenitrile
CID 70371909
2-(3,4-dibromophenyl)-5-[1-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile
CID 70243526
(2S)-5-[methyl(2-phenylethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CID 70372144
5-amino-2-phenyl-2-propan-2-ylpentanenitrile
CID 22443873
5-[benzyl(propan-2-yl)amino]-2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 54293439
2-cyclohexyl-5-[2-phenylethyl(propyl)amino]-2-[4-(trifluoromethyl)phenyl]hexanenitrile
CID 21181710
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile
CID 154428253
2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181931

Frequently Asked Questions

What is the IUPAC name of 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile?
The IUPAC name of 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile (CID 21181067) is 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile.
What is the SMILES notation for 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile?
The canonical SMILES for 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile is CCCN(CCCC(C#N)(c1ccc(C(F)(F)F)cc1)C(C)C)CCc1ccccc1.
What is the InChIKey of 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile?
The InChIKey is SVBJRHUFWZOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N2/c1-4-17-31(19-15-22-9-6-5-7-10-22)18-8-16-25(20-30,21(2)3)23-11-13-24(14-12-23)26(27,28)29/h5-7,9-14,21H,4,8,15-19H2,1-3H3.
What are the key properties of 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile?
5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile has a molecular weight of 430.56 g/mol, XLogP of 6.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile is sourced from PubChem (CID 21181067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).