3-(bromoamino)propyl-triphenylphosphanium bromide

C21H22Br2NP — CID 174219863

IUPAC3-(bromoamino)propyl-triphenylphosphanium bromide
SMILESBrNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H22BrNP.BrH/c22-23-17-10-18-24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,23H,10,17-18H2;1H/q+1;/p-1
InChIKeyZZFQFHLHODFBPV-UHFFFAOYSA-M
MW479.20 g/mol
LogP1.27
Rot. Bonds7

About 3-(bromoamino)propyl-triphenylphosphanium bromide

3-(bromoamino)propyl-triphenylphosphanium bromide (PubChem CID 174219863) has the molecular formula C21H22Br2NP and a molecular weight of 479.20 g/mol. Its IUPAC name is 3-(bromoamino)propyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name3-(bromoamino)propyl-triphenylphosphanium bromide
PubChem CID174219863
Molecular FormulaC21H22Br2NP
Molecular Weight479.20 g/mol
Exact Mass476.99
IUPAC Name3-(bromoamino)propyl-triphenylphosphanium bromide
SMILESBrNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H22BrNP.BrH/c22-23-17-10-18-24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,23H,10,17-18H2;1H/q+1;/p-1
InChIKeyZZFQFHLHODFBPV-UHFFFAOYSA-M
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
4-hydrazinylbutyl(triphenyl)phosphanium
CID 89167956
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
8-bromooctyl(triphenyl)phosphanium
CID 11991463
5-bromopentyl(triphenyl)phosphanium
CID 53436148
6-(chloroamino)hexyl-triphenylphosphanium
CID 87551290
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
4-iodobutyl(triphenyl)phosphanium
CID 16760510
4-fluorobutyl(triphenyl)phosphanium
CID 21187191

Frequently Asked Questions

What is the IUPAC name of 3-(bromoamino)propyl-triphenylphosphanium bromide?
The IUPAC name of 3-(bromoamino)propyl-triphenylphosphanium bromide (CID 174219863) is 3-(bromoamino)propyl-triphenylphosphanium bromide.
What is the SMILES notation for 3-(bromoamino)propyl-triphenylphosphanium bromide?
The canonical SMILES for 3-(bromoamino)propyl-triphenylphosphanium bromide is BrNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 3-(bromoamino)propyl-triphenylphosphanium bromide?
The InChIKey is ZZFQFHLHODFBPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H22BrNP.BrH/c22-23-17-10-18-24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,23H,10,17-18H2;1H/q+1;/p-1.
What are the key properties of 3-(bromoamino)propyl-triphenylphosphanium bromide?
3-(bromoamino)propyl-triphenylphosphanium bromide has a molecular weight of 479.20 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromoamino)propyl-triphenylphosphanium bromide is sourced from PubChem (CID 174219863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).