4-[4-(methylamino)phenoxy]benzonitrile

C14H12N2O — CID 15622757

IUPAC4-[4-(methylamino)phenoxy]benzonitrile
SMILESCNc1ccc(Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H12N2O/c1-16-12-4-8-14(9-5-12)17-13-6-2-11(10-15)3-7-13/h2-9,16H,1H3
InChIKeyGWWJJSXRCMNBEN-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.39
Rot. Bonds3

About 4-[4-(methylamino)phenoxy]benzonitrile

4-[4-(methylamino)phenoxy]benzonitrile (PubChem CID 15622757) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[4-(methylamino)phenoxy]benzonitrile.

Molecular Properties

Compound Name4-[4-(methylamino)phenoxy]benzonitrile
PubChem CID15622757
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-[4-(methylamino)phenoxy]benzonitrile
SMILESCNc1ccc(Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H12N2O/c1-16-12-4-8-14(9-5-12)17-13-6-2-11(10-15)3-7-13/h2-9,16H,1H3
InChIKeyGWWJJSXRCMNBEN-UHFFFAOYSA-N
XLogP3.39
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[4-(methylamino)phenoxy]benzonitrile
CID 82801460
4-[[4-(methylamino)phenyl]methyl]benzonitrile
CID 147207222
4-hexoxybenzonitrile;4-hexoxy-N-methylaniline
CID 174889691
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
CID 113368098
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
4-(4-tert-butylphenoxy)-N-methylaniline
CID 83549428
4-(4-propylphenoxy)benzonitrile
CID 20986267
4-(4-benzylphenoxy)benzonitrile
CID 134587761
4-methoxy(13C)benzonitrile
CID 175991125
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
4-(3-methoxyphenoxy)benzonitrile
CID 15643687

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)phenoxy]benzonitrile?
The IUPAC name of 4-[4-(methylamino)phenoxy]benzonitrile (CID 15622757) is 4-[4-(methylamino)phenoxy]benzonitrile.
What is the SMILES notation for 4-[4-(methylamino)phenoxy]benzonitrile?
The canonical SMILES for 4-[4-(methylamino)phenoxy]benzonitrile is CNc1ccc(Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-(methylamino)phenoxy]benzonitrile?
The InChIKey is GWWJJSXRCMNBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-16-12-4-8-14(9-5-12)17-13-6-2-11(10-15)3-7-13/h2-9,16H,1H3.
What are the key properties of 4-[4-(methylamino)phenoxy]benzonitrile?
4-[4-(methylamino)phenoxy]benzonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenoxy]benzonitrile is sourced from PubChem (CID 15622757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).