2-aminoethyl(triphenyl)phosphanium;dihydrobromide

C20H23Br2NP+ — CID 46905936

IUPAC2-aminoethyl(triphenyl)phosphanium;dihydrobromide
SMILESBr.Br.NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NP.2BrH/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;2*1H/q+1;;
InChIKeyYTEFPGUELCYQEG-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.09
Rot. Bonds5

About 2-aminoethyl(triphenyl)phosphanium;dihydrobromide

2-aminoethyl(triphenyl)phosphanium;dihydrobromide (PubChem CID 46905936) has the molecular formula C20H23Br2NP+ and a molecular weight of 468.19 g/mol. Its IUPAC name is 2-aminoethyl(triphenyl)phosphanium;dihydrobromide.

Molecular Properties

Compound Name2-aminoethyl(triphenyl)phosphanium;dihydrobromide
PubChem CID46905936
Molecular FormulaC20H23Br2NP+
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name2-aminoethyl(triphenyl)phosphanium;dihydrobromide
SMILESBr.Br.NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NP.2BrH/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;2*1H/q+1;;
InChIKeyYTEFPGUELCYQEG-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
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-aminoethyl(triphenyl)phosphanium;dihydrobromide?
The IUPAC name of 2-aminoethyl(triphenyl)phosphanium;dihydrobromide (CID 46905936) is 2-aminoethyl(triphenyl)phosphanium;dihydrobromide.
What is the SMILES notation for 2-aminoethyl(triphenyl)phosphanium;dihydrobromide?
The canonical SMILES for 2-aminoethyl(triphenyl)phosphanium;dihydrobromide is Br.Br.NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-aminoethyl(triphenyl)phosphanium;dihydrobromide?
The InChIKey is YTEFPGUELCYQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NP.2BrH/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;2*1H/q+1;;.
What are the key properties of 2-aminoethyl(triphenyl)phosphanium;dihydrobromide?
2-aminoethyl(triphenyl)phosphanium;dihydrobromide has a molecular weight of 468.19 g/mol, XLogP of 4.09, 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;dihydrobromide is sourced from PubChem (CID 46905936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).