3-[3-(dimethylamino)phenoxy]benzonitrile

C15H14N2O — CID 102818049

IUPAC3-[3-(dimethylamino)phenoxy]benzonitrile
SMILESCN(C)c1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H14N2O/c1-17(2)13-6-4-8-15(10-13)18-14-7-3-5-12(9-14)11-16/h3-10H,1-2H3
InChIKeyLBVSOIGAWHLVAT-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.42
Rot. Bonds3

About 3-[3-(dimethylamino)phenoxy]benzonitrile

3-[3-(dimethylamino)phenoxy]benzonitrile (PubChem CID 102818049) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenoxy]benzonitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenoxy]benzonitrile
PubChem CID102818049
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-[3-(dimethylamino)phenoxy]benzonitrile
SMILESCN(C)c1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H14N2O/c1-17(2)13-6-4-8-15(10-13)18-14-7-3-5-12(9-14)11-16/h3-10H,1-2H3
InChIKeyLBVSOIGAWHLVAT-UHFFFAOYSA-N
XLogP3.42
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(dimethylamino)phenoxy]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-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
CID 103469680
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
2-amino-3-[3-(dimethylamino)phenoxy]benzonitrile
CID 104717231
3-(3-ethylphenoxy)benzonitrile
CID 66843456
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940
3-chloro-4-[[3-(dimethylamino)phenoxy]methyl]benzonitrile
CID 102665903
3-(4-hydrazinyl-3-methylphenoxy)benzonitrile
CID 118138183
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 81061272
O-(3-cyanophenyl) N,N-dimethylcarbamothioate
CID 14795402
methyl 3-(3-cyanophenoxy)benzoate
CID 139818102

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenoxy]benzonitrile?
The IUPAC name of 3-[3-(dimethylamino)phenoxy]benzonitrile (CID 102818049) is 3-[3-(dimethylamino)phenoxy]benzonitrile.
What is the SMILES notation for 3-[3-(dimethylamino)phenoxy]benzonitrile?
The canonical SMILES for 3-[3-(dimethylamino)phenoxy]benzonitrile is CN(C)c1cccc(Oc2cccc(C#N)c2)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenoxy]benzonitrile?
The InChIKey is LBVSOIGAWHLVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17(2)13-6-4-8-15(10-13)18-14-7-3-5-12(9-14)11-16/h3-10H,1-2H3.
What are the key properties of 3-[3-(dimethylamino)phenoxy]benzonitrile?
3-[3-(dimethylamino)phenoxy]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenoxy]benzonitrile is sourced from PubChem (CID 102818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).