2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride

C28H30ClNP2 — CID 21144848

IUPAC2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride
SMILESCl.c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29NP2.ClH/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-20,29H,21-24H2;1H
InChIKeyAVDUVHMGGDOIQI-UHFFFAOYSA-N
MW477.96 g/mol
LogP5.26
Rot. Bonds10

About 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride

2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride (PubChem CID 21144848) has the molecular formula C28H30ClNP2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride
PubChem CID21144848
Molecular FormulaC28H30ClNP2
Molecular Weight477.96 g/mol
Exact Mass477.15
IUPAC Name2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride
SMILESCl.c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29NP2.ClH/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-20,29H,21-24H2;1H
InChIKeyAVDUVHMGGDOIQI-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.96
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride?
The IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride (CID 21144848) is 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride is Cl.c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride?
The InChIKey is AVDUVHMGGDOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NP2.ClH/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-20,29H,21-24H2;1H.
What are the key properties of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride?
2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride has a molecular weight of 477.96 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydrochloride is sourced from PubChem (CID 21144848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).