4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile

C16H16N2O — CID 82245048

IUPAC4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile
SMILESCN(C)c1cccc(COc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H16N2O/c1-18(2)15-5-3-4-14(10-15)12-19-16-8-6-13(11-17)7-9-16/h3-10H,12H2,1-2H3
InChIKeySIWNIYBPYGLXCG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.20
Rot. Bonds4

About 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile

4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile (PubChem CID 82245048) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile
PubChem CID82245048
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile
SMILESCN(C)c1cccc(COc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H16N2O/c1-18(2)15-5-3-4-14(10-15)12-19-16-8-6-13(11-17)7-9-16/h3-10H,12H2,1-2H3
InChIKeySIWNIYBPYGLXCG-UHFFFAOYSA-N
XLogP3.20
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
4-[(3-methylphenyl)methoxy]benzonitrile
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4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
CID 133385857
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
3-chloro-4-[[3-(dimethylamino)phenoxy]methyl]benzonitrile
CID 102665903
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzonitrile
CID 10863286
3-[(4-cyanophenoxy)methyl]-N-methyl-N-(4-prop-2-ynoxyphenyl)benzamide
CID 86954216
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
4-[(3-acetylphenyl)methoxy]benzonitrile;diiodovanadium
CID 159145288
(4-cyanophenyl)methyl 3-(dimethylamino)benzoate
CID 2673278
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile?
The IUPAC name of 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile (CID 82245048) is 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile?
The canonical SMILES for 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile is CN(C)c1cccc(COc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile?
The InChIKey is SIWNIYBPYGLXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18(2)15-5-3-4-14(10-15)12-19-16-8-6-13(11-17)7-9-16/h3-10H,12H2,1-2H3.
What are the key properties of 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile?
4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile is sourced from PubChem (CID 82245048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).