3-(dimethylamino)propyl-triphenylphosphanium bromide

C₂₃H₂₇BrNP — CID 15982517

About 3-(dimethylamino)propyl-triphenylphosphanium bromide

3-(dimethylamino)propyl-triphenylphosphanium bromide (PubChem CID 15982517) has the molecular formula C₂₃H₂₇BrNP and a molecular weight of 428.35 g/mol. Its IUPAC name is 3-(dimethylamino)propyl-triphenylphosphanium bromide.

Molecular Properties

• Compound Name: 3-(dimethylamino)propyl-triphenylphosphanium bromide
• PubChem CID: 15982517
• Molecular Formula: C₂₃H₂₇BrNP
• Molecular Weight: 428.35 g/mol
• Exact Mass: 427.11
• IUPAC Name: 3-(dimethylamino)propyl-triphenylphosphanium bromide
• SMILES: CN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C23H27NP.BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,12,19-20H2,1-2H3;1H/q+1;/p-1
• InChIKey: SSWPSKSQQSJKKF-UHFFFAOYSA-M
• XLogP: 0.94
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.35
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl-triphenylphosphanium bromide?

The IUPAC name of 3-(dimethylamino)propyl-triphenylphosphanium bromide (CID 15982517) is 3-(dimethylamino)propyl-triphenylphosphanium bromide.

What is the SMILES notation for 3-(dimethylamino)propyl-triphenylphosphanium bromide?

The canonical SMILES for 3-(dimethylamino)propyl-triphenylphosphanium bromide is CN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].

What is the InChIKey of 3-(dimethylamino)propyl-triphenylphosphanium bromide?

The InChIKey is SSWPSKSQQSJKKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H27NP.BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,12,19-20H2,1-2H3;1H/q+1;/p-1.

What are the key properties of 3-(dimethylamino)propyl-triphenylphosphanium bromide?

3-(dimethylamino)propyl-triphenylphosphanium bromide has a molecular weight of 428.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)propyl-triphenylphosphanium bromide is sourced from PubChem (CID 15982517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15982517 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.