4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile

C17H17ClN2 — CID 43202684

IUPAC4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C17H17ClN2/c1-12(15-9-7-14(11-19)8-10-15)20-13(2)16-5-3-4-6-17(16)18/h3-10,12-13,20H,1-2H3
InChIKeyZUSZCFRFVJHCFK-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.62
Rot. Bonds4

About 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile

4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile (PubChem CID 43202684) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
PubChem CID43202684
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C17H17ClN2/c1-12(15-9-7-14(11-19)8-10-15)20-13(2)16-5-3-4-6-17(16)18/h3-10,12-13,20H,1-2H3
InChIKeyZUSZCFRFVJHCFK-UHFFFAOYSA-N
XLogP4.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile 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

4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81373534
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297355
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
4-[1-[(2-chlorophenyl)methylamino]ethyl]benzonitrile
CID 43192680
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
4-[1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81365102
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
[(1R)-1-(2-chlorophenyl)ethyl]cyanamide
CID 81378616

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile (CID 43202684) is 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile is CC(NC(C)c1ccccc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile?
The InChIKey is ZUSZCFRFVJHCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-12(15-9-7-14(11-19)8-10-15)20-13(2)16-5-3-4-6-17(16)18/h3-10,12-13,20H,1-2H3.
What are the key properties of 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile?
4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile has a molecular weight of 284.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 43202684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).