4-chloro-2-(dibutylamino)benzonitrile

C15H21ClN2 — CID 63510927

IUPAC4-chloro-2-(dibutylamino)benzonitrile
SMILESCCCCN(CCCC)c1cc(Cl)ccc1C#N
InChIInChI=1S/C15H21ClN2/c1-3-5-9-18(10-6-4-2)15-11-14(16)8-7-13(15)12-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZUEYLHPEMMVSNZ-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.62
Rot. Bonds7

About 4-chloro-2-(dibutylamino)benzonitrile

4-chloro-2-(dibutylamino)benzonitrile (PubChem CID 63510927) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 4-chloro-2-(dibutylamino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(dibutylamino)benzonitrile
PubChem CID63510927
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name4-chloro-2-(dibutylamino)benzonitrile
SMILESCCCCN(CCCC)c1cc(Cl)ccc1C#N
InChIInChI=1S/C15H21ClN2/c1-3-5-9-18(10-6-4-2)15-11-14(16)8-7-13(15)12-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZUEYLHPEMMVSNZ-UHFFFAOYSA-N
XLogP4.62
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(dibutylamino)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-chloro-2-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 55226350
3-(5-chloro-2-cyano-N-ethylanilino)propanoic acid
CID 55181834
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
2-[butan-2-yl(butyl)amino]-5-chlorobenzonitrile
CID 63511484
5-chloro-2-[ethyl(propyl)amino]benzonitrile
CID 62494074
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
CID 55181966
2-[butyl(2-hydroxyethyl)amino]benzonitrile
CID 61448491
3-(5-chloro-2-cyano-N-ethylanilino)-2-methylpropanoic acid
CID 63083281
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
2-[(3-aminophenyl)methyl-ethylamino]-4-chlorobenzonitrile
CID 63083830
2-(5-chloro-2-cyano-N-ethylanilino)-2-methylpropanoic acid
CID 63083105

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(dibutylamino)benzonitrile?
The IUPAC name of 4-chloro-2-(dibutylamino)benzonitrile (CID 63510927) is 4-chloro-2-(dibutylamino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(dibutylamino)benzonitrile?
The canonical SMILES for 4-chloro-2-(dibutylamino)benzonitrile is CCCCN(CCCC)c1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-(dibutylamino)benzonitrile?
The InChIKey is ZUEYLHPEMMVSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-3-5-9-18(10-6-4-2)15-11-14(16)8-7-13(15)12-17/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4-chloro-2-(dibutylamino)benzonitrile?
4-chloro-2-(dibutylamino)benzonitrile has a molecular weight of 264.80 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(dibutylamino)benzonitrile is sourced from PubChem (CID 63510927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).