2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline

C33H31NOP2 — CID 102355584

IUPAC2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
SMILESCN(CCOP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31NOP2/c1-34(26-27-35-37(30-20-10-4-11-21-30)31-22-12-5-13-23-31)32-24-14-15-25-33(32)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h2-25H,26-27H2,1H3
InChIKeyHMFMFJJWGLXEJS-UHFFFAOYSA-N
MW519.57 g/mol
LogP5.95
Rot. Bonds10

About 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline

2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline (PubChem CID 102355584) has the molecular formula C33H31NOP2 and a molecular weight of 519.57 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
PubChem CID102355584
Molecular FormulaC33H31NOP2
Molecular Weight519.57 g/mol
Exact Mass519.19
IUPAC Name2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
SMILESCN(CCOP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31NOP2/c1-34(26-27-35-37(30-20-10-4-11-21-30)31-22-12-5-13-23-31)32-24-14-15-25-33(32)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h2-25H,26-27H2,1H3
InChIKeyHMFMFJJWGLXEJS-UHFFFAOYSA-N
XLogP5.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline
CID 138547419
2-diphenylphosphanyloxyethoxy(diphenyl)phosphane
CID 10950051
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate
CID 10995796
N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
CID 12969629
2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline
CID 138547451
N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide
CID 12969627
2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 138547414
5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine
CID 11426922
N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine
CID 138547403
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
CID 102023770

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline?
The IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline (CID 102355584) is 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline.
What is the SMILES notation for 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline?
The canonical SMILES for 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline is CN(CCOP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline?
The InChIKey is HMFMFJJWGLXEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NOP2/c1-34(26-27-35-37(30-20-10-4-11-21-30)31-22-12-5-13-23-31)32-24-14-15-25-33(32)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h2-25H,26-27H2,1H3.
What are the key properties of 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline?
2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline has a molecular weight of 519.57 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline is sourced from PubChem (CID 102355584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).