2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine

C29H31NP2 — CID 604044

IUPAC2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine
SMILESCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NP2/c1-30(22-24-31(26-14-6-2-7-15-26)27-16-8-3-9-17-27)23-25-32(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21H,22-25H2,1H3
InChIKeyMSTFNLRJWKVMMA-UHFFFAOYSA-N
MW455.52 g/mol
LogP5.18
Rot. Bonds10

About 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine

2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine (PubChem CID 604044) has the molecular formula C29H31NP2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine
PubChem CID604044
Molecular FormulaC29H31NP2
Molecular Weight455.52 g/mol
Exact Mass455.19
IUPAC Name2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine
SMILESCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NP2/c1-30(22-24-31(26-14-6-2-7-15-26)27-16-8-3-9-17-27)23-25-32(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21H,22-25H2,1H3
InChIKeyMSTFNLRJWKVMMA-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 55.18
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-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine?
The IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine (CID 604044) is 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine.
What is the SMILES notation for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine?
The canonical SMILES for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine is CN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine?
The InChIKey is MSTFNLRJWKVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NP2/c1-30(22-24-31(26-14-6-2-7-15-26)27-16-8-3-9-17-27)23-25-32(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21H,22-25H2,1H3.
What are the key properties of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine?
2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine has a molecular weight of 455.52 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine is sourced from PubChem (CID 604044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).