2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile

C25H32Cl2N2 — CID 21181373

IUPAC2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile
SMILESCCCN(CCCC(C#N)(c1c(Cl)cccc1Cl)C(C)C)CCc1ccccc1
InChIInChI=1S/C25H32Cl2N2/c1-4-16-29(18-14-21-10-6-5-7-11-21)17-9-15-25(19-28,20(2)3)24-22(26)12-8-13-23(24)27/h5-8,10-13,20H,4,9,14-18H2,1-3H3
InChIKeyLEFVPNNYAXEUQB-UHFFFAOYSA-N
MW431.45 g/mol
LogP7.15
Rot. Bonds11

About 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile

2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile (PubChem CID 21181373) has the molecular formula C25H32Cl2N2 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile
PubChem CID21181373
Molecular FormulaC25H32Cl2N2
Molecular Weight431.45 g/mol
Exact Mass430.19
IUPAC Name2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile
SMILESCCCN(CCCC(C#N)(c1c(Cl)cccc1Cl)C(C)C)CCc1ccccc1
InChIInChI=1S/C25H32Cl2N2/c1-4-16-29(18-14-21-10-6-5-7-11-21)17-9-15-25(19-28,20(2)3)24-22(26)12-8-13-23(24)27/h5-8,10-13,20H,4,9,14-18H2,1-3H3
InChIKeyLEFVPNNYAXEUQB-UHFFFAOYSA-N
XLogP7.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile 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

5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile
CID 21181067
5-[benzyl(methyl)amino]-2-(2,6-dichlorophenyl)-2-propan-2-ylheptanenitrile
CID 21181465
5-[benzyl(propyl)amino]-2-(2-fluorophenyl)-2-propan-2-ylpentanenitrile
CID 21181154
2-(2,6-dibromophenyl)-5-[methyl(2-phenylethyl)amino]-2-propan-2-ylhexanenitrile
CID 21180965
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
(2S)-2-(3,5-dimethoxyphenyl)-5-[methyl(2-phenylethyl)amino]-2-propan-2-ylpentanenitrile
CID 70371909
2-[2-phenylethyl(propyl)amino]acetonitrile
CID 55206924
2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181931
(2S)-5-[methyl(2-phenylethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CID 70372144
5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
CID 21181279
5-[benzyl(propan-2-yl)amino]-2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 54293439

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile (CID 21181373) is 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile is CCCN(CCCC(C#N)(c1c(Cl)cccc1Cl)C(C)C)CCc1ccccc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile?
The InChIKey is LEFVPNNYAXEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2/c1-4-16-29(18-14-21-10-6-5-7-11-21)17-9-15-25(19-28,20(2)3)24-22(26)12-8-13-23(24)27/h5-8,10-13,20H,4,9,14-18H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile?
2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile has a molecular weight of 431.45 g/mol, XLogP of 7.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 21181373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).