[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride

C15H15ClN2 — CID 14228408

IUPAC[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride
SMILESC(=C/Nc1ccccc1)\C=[NH+]\c1ccccc1.[Cl-]
InChIInChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13+;
InChIKeyPBKBURVPAHHUIK-LIQLGICFSA-N
MW258.75 g/mol
LogP-0.90
Rot. Bonds4

About [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride

[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride (PubChem CID 14228408) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride.

Molecular Properties

Compound Name[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride
PubChem CID14228408
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride
SMILESC(=C/Nc1ccccc1)\C=[NH+]\c1ccccc1.[Cl-]
InChIInChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13+;
InChIKeyPBKBURVPAHHUIK-LIQLGICFSA-N
XLogP-0.90
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride?
The IUPAC name of [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride (CID 14228408) is [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride.
What is the SMILES notation for [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride?
The canonical SMILES for [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride is C(=C/Nc1ccccc1)\C=[NH+]\c1ccccc1.[Cl-].
What is the InChIKey of [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride?
The InChIKey is PBKBURVPAHHUIK-LIQLGICFSA-N. The full InChI is InChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13+;.
What are the key properties of [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride?
[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride has a molecular weight of 258.75 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride is sourced from PubChem (CID 14228408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).