3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile

C11H13ClN2O — CID 60667254

IUPAC3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile
SMILESCN(C)CCOc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H13ClN2O/c1-14(2)5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7H,5-6H2,1-2H3
InChIKeyYYCCGJLOCDLHJI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile

3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile (PubChem CID 60667254) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile
PubChem CID60667254
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile
SMILESCN(C)CCOc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H13ClN2O/c1-14(2)5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7H,5-6H2,1-2H3
InChIKeyYYCCGJLOCDLHJI-UHFFFAOYSA-N
XLogP2.15
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[2-(dimethylamino)ethoxy]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

3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
3-chloro-4-(6-hydroxyhexoxy)benzonitrile
CID 107703782
3-chloro-4-(2-phenylethoxy)benzonitrile
CID 60667396
4-(2-amino-2-methylpropoxy)-3-chlorobenzonitrile
CID 64536195
3-chloro-4-(3-oxo-3-phenylpropoxy)benzonitrile
CID 116692131
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
4-[3-(2-chloro-4-methylphenoxy)propoxy]benzonitrile
CID 63512823
2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
3-chloro-4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 130564095
4-(2-bromoprop-2-enoxy)-3-chlorobenzonitrile
CID 60561510
3-chloro-4-(2-hydroxy-2-methylbutoxy)benzonitrile
CID 114493855
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile?
The IUPAC name of 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile (CID 60667254) is 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile.
What is the SMILES notation for 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile?
The canonical SMILES for 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile is CN(C)CCOc1ccc(C#N)cc1Cl.
What is the InChIKey of 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile?
The InChIKey is YYCCGJLOCDLHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-14(2)5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile?
3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile has a molecular weight of 224.69 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile is sourced from PubChem (CID 60667254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).