tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride

C15H27ClN3P — CID 11726818

IUPACtris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride
SMILESCc1ccc(/C=C/[P+](N(C)C)(N(C)C)N(C)C)cc1.[Cl-]
InChIInChI=1S/C15H27N3P.ClH/c1-14-8-10-15(11-9-14)12-13-19(16(2)3,17(4)5)18(6)7;/h8-13H,1-7H3;1H/q+1;/p-1/b13-12+;
InChIKeyPIKUZKBBPLQQLY-UEIGIMKUSA-M
MW315.83 g/mol
LogP0.42
Rot. Bonds5

About tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride

tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride (PubChem CID 11726818) has the molecular formula C15H27ClN3P and a molecular weight of 315.83 g/mol. Its IUPAC name is tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride.

Molecular Properties

Compound Nametris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride
PubChem CID11726818
Molecular FormulaC15H27ClN3P
Molecular Weight315.83 g/mol
Exact Mass315.16
IUPAC Nametris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride
SMILESCc1ccc(/C=C/[P+](N(C)C)(N(C)C)N(C)C)cc1.[Cl-]
InChIInChI=1S/C15H27N3P.ClH/c1-14-8-10-15(11-9-14)12-13-19(16(2)3,17(4)5)18(6)7;/h8-13H,1-7H3;1H/q+1;/p-1/b13-12+;
InChIKeyPIKUZKBBPLQQLY-UEIGIMKUSA-M
XLogP0.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride?
The IUPAC name of tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride (CID 11726818) is tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride.
What is the SMILES notation for tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride?
The canonical SMILES for tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride is Cc1ccc(/C=C/[P+](N(C)C)(N(C)C)N(C)C)cc1.[Cl-].
What is the InChIKey of tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride?
The InChIKey is PIKUZKBBPLQQLY-UEIGIMKUSA-M. The full InChI is InChI=1S/C15H27N3P.ClH/c1-14-8-10-15(11-9-14)12-13-19(16(2)3,17(4)5)18(6)7;/h8-13H,1-7H3;1H/q+1;/p-1/b13-12+;.
What are the key properties of tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride?
tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride has a molecular weight of 315.83 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride is sourced from PubChem (CID 11726818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).