4-[3-(dimethylamino)phenoxy]benzonitrile

C15H14N2O — CID 61229478

IUPAC4-[3-(dimethylamino)phenoxy]benzonitrile
SMILESCN(C)c1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H14N2O/c1-17(2)13-4-3-5-15(10-13)18-14-8-6-12(11-16)7-9-14/h3-10H,1-2H3
InChIKeyQTNGTUOZQATMFC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.42
Rot. Bonds3

About 4-[3-(dimethylamino)phenoxy]benzonitrile

4-[3-(dimethylamino)phenoxy]benzonitrile (PubChem CID 61229478) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]benzonitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]benzonitrile
PubChem CID61229478
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-[3-(dimethylamino)phenoxy]benzonitrile
SMILESCN(C)c1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H14N2O/c1-17(2)13-4-3-5-15(10-13)18-14-8-6-12(11-16)7-9-14/h3-10H,1-2H3
InChIKeyQTNGTUOZQATMFC-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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]benzonitrile?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]benzonitrile (CID 61229478) is 4-[3-(dimethylamino)phenoxy]benzonitrile.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]benzonitrile?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]benzonitrile is CN(C)c1cccc(Oc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]benzonitrile?
The InChIKey is QTNGTUOZQATMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17(2)13-4-3-5-15(10-13)18-14-8-6-12(11-16)7-9-14/h3-10H,1-2H3.
What are the key properties of 4-[3-(dimethylamino)phenoxy]benzonitrile?
4-[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 4-[3-(dimethylamino)phenoxy]benzonitrile is sourced from PubChem (CID 61229478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).