4-[(4-ethenylphenyl)iminomethyl]aniline

C15H14N2 — CID 21401084

IUPAC4-[(4-ethenylphenyl)iminomethyl]aniline
SMILESC=Cc1ccc(/N=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H14N2/c1-2-12-5-9-15(10-6-12)17-11-13-3-7-14(16)8-4-13/h2-11H,1,16H2/b17-11+
InChIKeyWTUMZJVFKHKQOD-GZTJUZNOSA-N
MW222.29 g/mol
LogP3.66
Rot. Bonds3

About 4-[(4-ethenylphenyl)iminomethyl]aniline

4-[(4-ethenylphenyl)iminomethyl]aniline (PubChem CID 21401084) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(4-ethenylphenyl)iminomethyl]aniline.

Molecular Properties

Compound Name4-[(4-ethenylphenyl)iminomethyl]aniline
PubChem CID21401084
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-[(4-ethenylphenyl)iminomethyl]aniline
SMILESC=Cc1ccc(/N=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H14N2/c1-2-12-5-9-15(10-6-12)17-11-13-3-7-14(16)8-4-13/h2-11H,1,16H2/b17-11+
InChIKeyWTUMZJVFKHKQOD-GZTJUZNOSA-N
XLogP3.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethenylphenyl)iminomethyl]aniline?
The IUPAC name of 4-[(4-ethenylphenyl)iminomethyl]aniline (CID 21401084) is 4-[(4-ethenylphenyl)iminomethyl]aniline.
What is the SMILES notation for 4-[(4-ethenylphenyl)iminomethyl]aniline?
The canonical SMILES for 4-[(4-ethenylphenyl)iminomethyl]aniline is C=Cc1ccc(/N=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-ethenylphenyl)iminomethyl]aniline?
The InChIKey is WTUMZJVFKHKQOD-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-12-5-9-15(10-6-12)17-11-13-3-7-14(16)8-4-13/h2-11H,1,16H2/b17-11+.
What are the key properties of 4-[(4-ethenylphenyl)iminomethyl]aniline?
4-[(4-ethenylphenyl)iminomethyl]aniline has a molecular weight of 222.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethenylphenyl)iminomethyl]aniline is sourced from PubChem (CID 21401084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).