(E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride

C16H16Cl2N2 — CID 134875945

IUPAC(E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride
SMILESN/C(Cc1ccccc1)=[NH+]/C(Cl)=C/c1ccccc1.[Cl-]
InChIInChI=1S/C16H15ClN2.ClH/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14;/h1-11H,12H2,(H2,18,19);1H/b15-11+;
InChIKeyAAHMETPQRIVRJD-KRWCAOSLSA-N
MW307.22 g/mol
LogP-1.09
Rot. Bonds4

About (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride

(E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride (PubChem CID 134875945) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride.

Molecular Properties

Compound Name(E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride
PubChem CID134875945
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name(E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride
SMILESN/C(Cc1ccccc1)=[NH+]/C(Cl)=C/c1ccccc1.[Cl-]
InChIInChI=1S/C16H15ClN2.ClH/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14;/h1-11H,12H2,(H2,18,19);1H/b15-11+;
InChIKeyAAHMETPQRIVRJD-KRWCAOSLSA-N
XLogP-1.09
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 5-1.09
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride?
The IUPAC name of (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride (CID 134875945) is (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride.
What is the SMILES notation for (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride?
The canonical SMILES for (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride is N/C(Cc1ccccc1)=[NH+]/C(Cl)=C/c1ccccc1.[Cl-].
What is the InChIKey of (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride?
The InChIKey is AAHMETPQRIVRJD-KRWCAOSLSA-N. The full InChI is InChI=1S/C16H15ClN2.ClH/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14;/h1-11H,12H2,(H2,18,19);1H/b15-11+;.
What are the key properties of (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride?
(E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride has a molecular weight of 307.22 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(1-amino-2-phenylethylidene)-[(Z)-1-chloro-2-phenylethenyl]azanium chloride is sourced from PubChem (CID 134875945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).