2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile

C24H29ClN2 — CID 21181334

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
SMILESCCN(CCCC(C#N)(c1ccc(Cl)cc1)C1CC1)CCc1ccccc1
InChIInChI=1S/C24H29ClN2/c1-2-27(18-15-20-7-4-3-5-8-20)17-6-16-24(19-26,21-9-10-21)22-11-13-23(25)14-12-22/h3-5,7-8,11-14,21H,2,6,9-10,15-18H2,1H3
InChIKeyOSBFZVIXZDNMHI-UHFFFAOYSA-N
MW380.96 g/mol
LogP5.86
Rot. Bonds10

About 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile

2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile (PubChem CID 21181334) has the molecular formula C24H29ClN2 and a molecular weight of 380.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
PubChem CID21181334
Molecular FormulaC24H29ClN2
Molecular Weight380.96 g/mol
Exact Mass380.20
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
SMILESCCN(CCCC(C#N)(c1ccc(Cl)cc1)C1CC1)CCc1ccccc1
InChIInChI=1S/C24H29ClN2/c1-2-27(18-15-20-7-4-3-5-8-20)17-6-16-24(19-26,21-9-10-21)22-11-13-23(25)14-12-22/h3-5,7-8,11-14,21H,2,6,9-10,15-18H2,1H3
InChIKeyOSBFZVIXZDNMHI-UHFFFAOYSA-N
XLogP5.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.96
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)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-(4-chlorophenyl)-2-cyclobutyl-5-(dibenzylamino)pentanenitrile
CID 21181745
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-(4-chlorophenyl)-2-cyclohexyl-5-[ethyl(2-phenylethyl)amino]hexanenitrile
CID 21181673
2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181931
5-[benzyl(ethyl)amino]-2-cyclopentyl-2-(3,4-difluorophenyl)pentanenitrile
CID 21181090
2-(4-chlorophenyl)-2-cyclopropyl-5-[2-(4-methoxyphenyl)ethyl-methylamino]pentanenitrile
CID 23582438
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181905
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)pentanenitrile
CID 21181655
5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
CID 21181279
2-cyclopropyl-2-(3,4-dichlorophenyl)-5-[ethyl(2-phenylethyl)amino]hexanenitrile
CID 21181146

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile (CID 21181334) is 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile is CCN(CCCC(C#N)(c1ccc(Cl)cc1)C1CC1)CCc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile?
The InChIKey is OSBFZVIXZDNMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2/c1-2-27(18-15-20-7-4-3-5-8-20)17-6-16-24(19-26,21-9-10-21)22-11-13-23(25)14-12-22/h3-5,7-8,11-14,21H,2,6,9-10,15-18H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile?
2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile has a molecular weight of 380.96 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile is sourced from PubChem (CID 21181334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).