4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile

C16H14N2O2 — CID 86728880

IUPAC4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
SMILESCOc1cc(/N=C/c2ccc(C#N)cc2)cc(OC)c1
InChIInChI=1S/C16H14N2O2/c1-19-15-7-14(8-16(9-15)20-2)18-11-13-5-3-12(10-17)4-6-13/h3-9,11H,1-2H3/b18-11+
InChIKeyRIJKTIKLPITPLU-WOJGMQOQSA-N
MW266.30 g/mol
LogP3.33
Rot. Bonds4

About 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile

4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile (PubChem CID 86728880) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
PubChem CID86728880
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
SMILESCOc1cc(/N=C/c2ccc(C#N)cc2)cc(OC)c1
InChIInChI=1S/C16H14N2O2/c1-19-15-7-14(8-16(9-15)20-2)18-11-13-5-3-12(10-17)4-6-13/h3-9,11H,1-2H3/b18-11+
InChIKeyRIJKTIKLPITPLU-WOJGMQOQSA-N
XLogP3.33
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile
CID 86728655
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
4-[(5-amino-2-methoxyphenyl)iminomethyl]benzonitrile
CID 2354568
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051
4-methoxy(13C)benzonitrile
CID 175991125
4-[(E)-2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 139175976
4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol
CID 86729004
4-[4-[8-[4-[[4-[8-[4-[[4-[8-[4-(4-cyanophenyl)phenoxy]octoxy]phenyl]methylideneamino]phenoxy]octoxy]phenyl]iminomethyl]phenoxy]octoxy]phenyl]benzonitrile
CID 100997509

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile (CID 86728880) is 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile is COc1cc(/N=C/c2ccc(C#N)cc2)cc(OC)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile?
The InChIKey is RIJKTIKLPITPLU-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-15-7-14(8-16(9-15)20-2)18-11-13-5-3-12(10-17)4-6-13/h3-9,11H,1-2H3/b18-11+.
What are the key properties of 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile?
4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile has a molecular weight of 266.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile is sourced from PubChem (CID 86728880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).