(E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride

C18H20Cl2N2 — CID 134876065

IUPAC(E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride
SMILESN/C(CCc1ccccc1)=[NH+]/C(Cl)=C\Cc1ccccc1.[Cl-]
InChIInChI=1S/C18H19ClN2.ClH/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16;/h1-10,13H,11-12,14H2,(H2,20,21);1H/b17-13-;
InChIKeyMAJFMCYPMIXGTN-VSORCOHTSA-N
MW335.28 g/mol
LogP-0.62
Rot. Bonds6

About (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride

(E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride (PubChem CID 134876065) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride.

Molecular Properties

Compound Name(E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride
PubChem CID134876065
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name(E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride
SMILESN/C(CCc1ccccc1)=[NH+]/C(Cl)=C\Cc1ccccc1.[Cl-]
InChIInChI=1S/C18H19ClN2.ClH/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16;/h1-10,13H,11-12,14H2,(H2,20,21);1H/b17-13-;
InChIKeyMAJFMCYPMIXGTN-VSORCOHTSA-N
XLogP-0.62
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium 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)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride?
The IUPAC name of (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride (CID 134876065) is (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride.
What is the SMILES notation for (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride?
The canonical SMILES for (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride is N/C(CCc1ccccc1)=[NH+]/C(Cl)=C\Cc1ccccc1.[Cl-].
What is the InChIKey of (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride?
The InChIKey is MAJFMCYPMIXGTN-VSORCOHTSA-N. The full InChI is InChI=1S/C18H19ClN2.ClH/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16;/h1-10,13H,11-12,14H2,(H2,20,21);1H/b17-13-;.
What are the key properties of (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride?
(E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride has a molecular weight of 335.28 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(1-amino-3-phenylpropylidene)-[(E)-1-chloro-3-phenylprop-1-enyl]azanium chloride is sourced from PubChem (CID 134876065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).