2-(dimethylamino)ethyl-triphenylphosphanium bromide

C22H25BrNP — CID 2724136

IUPAC2-(dimethylamino)ethyl-triphenylphosphanium bromide
SMILESCN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H25NP.BrH/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,18-19H2,1-2H3;1H/q+1;/p-1
InChIKeyYIIHEMGEQQWSMA-UHFFFAOYSA-M
MW414.33 g/mol
LogP0.55
Rot. Bonds6

About 2-(dimethylamino)ethyl-triphenylphosphanium bromide

2-(dimethylamino)ethyl-triphenylphosphanium bromide (PubChem CID 2724136) has the molecular formula C22H25BrNP and a molecular weight of 414.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-triphenylphosphanium bromide
PubChem CID2724136
Molecular FormulaC22H25BrNP
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC Name2-(dimethylamino)ethyl-triphenylphosphanium bromide
SMILESCN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H25NP.BrH/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,18-19H2,1-2H3;1H/q+1;/p-1
InChIKeyYIIHEMGEQQWSMA-UHFFFAOYSA-M
XLogP0.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-triphenylphosphanium bromide?
The IUPAC name of 2-(dimethylamino)ethyl-triphenylphosphanium bromide (CID 2724136) is 2-(dimethylamino)ethyl-triphenylphosphanium bromide.
What is the SMILES notation for 2-(dimethylamino)ethyl-triphenylphosphanium bromide?
The canonical SMILES for 2-(dimethylamino)ethyl-triphenylphosphanium bromide is CN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 2-(dimethylamino)ethyl-triphenylphosphanium bromide?
The InChIKey is YIIHEMGEQQWSMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H25NP.BrH/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,18-19H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-(dimethylamino)ethyl-triphenylphosphanium bromide?
2-(dimethylamino)ethyl-triphenylphosphanium bromide has a molecular weight of 414.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-triphenylphosphanium bromide is sourced from PubChem (CID 2724136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).