4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile

C15H14ClN3 — CID 55151861

IUPAC4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile
SMILESCC(Nc1ccc(C#N)c(Cl)c1)c1ccccc1N
InChIInChI=1S/C15H14ClN3/c1-10(13-4-2-3-5-15(13)18)19-12-7-6-11(9-17)14(16)8-12/h2-8,10,19H,18H2,1H3
InChIKeyCWPTXJLMKODRNM-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.97
Rot. Bonds3

About 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile

4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile (PubChem CID 55151861) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile
PubChem CID55151861
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile
SMILESCC(Nc1ccc(C#N)c(Cl)c1)c1ccccc1N
InChIInChI=1S/C15H14ClN3/c1-10(13-4-2-3-5-15(13)18)19-12-7-6-11(9-17)14(16)8-12/h2-8,10,19H,18H2,1H3
InChIKeyCWPTXJLMKODRNM-UHFFFAOYSA-N
XLogP3.97
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile 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-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118
2-chloro-4-[1-(2-methoxy-4-methylphenyl)ethylamino]benzonitrile
CID 43775126
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
4-[1-(4-bromophenyl)ethylamino]-2-chlorobenzonitrile
CID 43348025
4-[1-(1-benzothiophen-2-yl)ethylamino]-2-chlorobenzonitrile
CID 114909699
2-chloro-4-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]benzonitrile
CID 133314572
2-chloro-4-[1-(1-phenyltriazol-4-yl)ethylamino]benzonitrile
CID 133365391
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450
1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 55132685
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
2-chloro-4-[1-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 63938853

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile?
The IUPAC name of 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile (CID 55151861) is 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile.
What is the SMILES notation for 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile?
The canonical SMILES for 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile is CC(Nc1ccc(C#N)c(Cl)c1)c1ccccc1N.
What is the InChIKey of 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile?
The InChIKey is CWPTXJLMKODRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10(13-4-2-3-5-15(13)18)19-12-7-6-11(9-17)14(16)8-12/h2-8,10,19H,18H2,1H3.
What are the key properties of 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile?
4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile has a molecular weight of 271.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile is sourced from PubChem (CID 55151861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).