4-[(4-ethylphenyl)iminomethyl]benzonitrile

C16H14N2 — CID 23167748

IUPAC4-[(4-ethylphenyl)iminomethyl]benzonitrile
SMILESCCc1ccc(/N=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H14N2/c1-2-13-7-9-16(10-8-13)18-12-15-5-3-14(11-17)4-6-15/h3-10,12H,2H2,1H3/b18-12+
InChIKeyCXYDJKCXOOLFRM-LDADJPATSA-N
MW234.30 g/mol
LogP3.87
Rot. Bonds3

About 4-[(4-ethylphenyl)iminomethyl]benzonitrile

4-[(4-ethylphenyl)iminomethyl]benzonitrile (PubChem CID 23167748) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-ethylphenyl)iminomethyl]benzonitrile
PubChem CID23167748
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-[(4-ethylphenyl)iminomethyl]benzonitrile
SMILESCCc1ccc(/N=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H14N2/c1-2-13-7-9-16(10-8-13)18-12-15-5-3-14(11-17)4-6-15/h3-10,12H,2H2,1H3/b18-12+
InChIKeyCXYDJKCXOOLFRM-LDADJPATSA-N
XLogP3.87
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
CID 139780621
4-ethylbenzonitrile;fluoromethane
CID 143083977
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217
4-[4-[9-[4-[(4-hexylphenyl)iminomethyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 102120024
[4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate
CID 4623457
4-[4-[4-[4-[[4-[(2R)-2-methylbutyl]phenyl]iminomethyl]phenoxy]butoxy]phenyl]benzonitrile
CID 169302425
4-(ethyliminomethyl)benzonitrile
CID 12927009
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
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
4-[[4-(6-hydroxyhexoxy)phenyl]iminomethyl]benzonitrile
CID 102069288
4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
CID 86728880

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(4-ethylphenyl)iminomethyl]benzonitrile (CID 23167748) is 4-[(4-ethylphenyl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(4-ethylphenyl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(4-ethylphenyl)iminomethyl]benzonitrile is CCc1ccc(/N=C/c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)iminomethyl]benzonitrile?
The InChIKey is CXYDJKCXOOLFRM-LDADJPATSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-13-7-9-16(10-8-13)18-12-15-5-3-14(11-17)4-6-15/h3-10,12H,2H2,1H3/b18-12+.
What are the key properties of 4-[(4-ethylphenyl)iminomethyl]benzonitrile?
4-[(4-ethylphenyl)iminomethyl]benzonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)iminomethyl]benzonitrile is sourced from PubChem (CID 23167748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).