2-aminoethyl(triphenyl)phosphanium bromide

C20H21BrNP — CID 19084669

IUPAC2-aminoethyl(triphenyl)phosphanium bromide
SMILESNCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H21NP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,21H2;1H/q+1;/p-1
InChIKeyIEDLFWPVJJOQLZ-UHFFFAOYSA-M
MW386.27 g/mol
LogP-0.06
Rot. Bonds5

About 2-aminoethyl(triphenyl)phosphanium bromide

2-aminoethyl(triphenyl)phosphanium bromide (PubChem CID 19084669) has the molecular formula C20H21BrNP and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-aminoethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name2-aminoethyl(triphenyl)phosphanium bromide
PubChem CID19084669
Molecular FormulaC20H21BrNP
Molecular Weight386.27 g/mol
Exact Mass385.06
IUPAC Name2-aminoethyl(triphenyl)phosphanium bromide
SMILESNCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H21NP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,21H2;1H/q+1;/p-1
InChIKeyIEDLFWPVJJOQLZ-UHFFFAOYSA-M
XLogP-0.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-aminoethyl(triphenyl)phosphanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(triphenyl)phosphanium bromide?
The IUPAC name of 2-aminoethyl(triphenyl)phosphanium bromide (CID 19084669) is 2-aminoethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 2-aminoethyl(triphenyl)phosphanium bromide?
The canonical SMILES for 2-aminoethyl(triphenyl)phosphanium bromide is NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 2-aminoethyl(triphenyl)phosphanium bromide?
The InChIKey is IEDLFWPVJJOQLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21NP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,21H2;1H/q+1;/p-1.
What are the key properties of 2-aminoethyl(triphenyl)phosphanium bromide?
2-aminoethyl(triphenyl)phosphanium bromide has a molecular weight of 386.27 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 19084669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).