4-[(E)-2-(4-aminophenyl)ethenyl]aniline

C14H14N2 — CID 5284646

IUPAC4-[(E)-2-(4-aminophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,15-16H2/b2-1+
InChIKeyKOGDFDWINXIWHI-OWOJBTEDSA-N
MW210.28 g/mol
LogP3.02
Rot. Bonds2

About 4-[(E)-2-(4-aminophenyl)ethenyl]aniline

4-[(E)-2-(4-aminophenyl)ethenyl]aniline (PubChem CID 5284646) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(E)-2-(4-aminophenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-aminophenyl)ethenyl]aniline
PubChem CID5284646
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name4-[(E)-2-(4-aminophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,15-16H2/b2-1+
InChIKeyKOGDFDWINXIWHI-OWOJBTEDSA-N
XLogP3.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]aniline (CID 5284646) is 4-[(E)-2-(4-aminophenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-aminophenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-aminophenyl)ethenyl]aniline is Nc1ccc(/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-aminophenyl)ethenyl]aniline?
The InChIKey is KOGDFDWINXIWHI-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,15-16H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-aminophenyl)ethenyl]aniline?
4-[(E)-2-(4-aminophenyl)ethenyl]aniline has a molecular weight of 210.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-aminophenyl)ethenyl]aniline is sourced from PubChem (CID 5284646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).