N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine

C20H26NOPSe — CID 102455976

IUPACN-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine
SMILESC=COCCNP(=[Se])(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H26NOPSe/c1-2-22-16-15-21-23(24,17-13-19-9-5-3-6-10-19)18-14-20-11-7-4-8-12-20/h2-12H,1,13-18H2,(H,21,24)
InChIKeyYQYNZTKJHKKWKS-UHFFFAOYSA-N
MW406.37 g/mol
LogP4.24
Rot. Bonds11

About N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine

N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine (PubChem CID 102455976) has the molecular formula C20H26NOPSe and a molecular weight of 406.37 g/mol. Its IUPAC name is N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine.

Molecular Properties

Compound NameN-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine
PubChem CID102455976
Molecular FormulaC20H26NOPSe
Molecular Weight406.37 g/mol
Exact Mass407.09
IUPAC NameN-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine
SMILESC=COCCNP(=[Se])(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H26NOPSe/c1-2-22-16-15-21-23(24,17-13-19-9-5-3-6-10-19)18-14-20-11-7-4-8-12-20/h2-12H,1,13-18H2,(H,21,24)
InChIKeyYQYNZTKJHKKWKS-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[bis(2-phenylethyl)phosphinothioyl]-2-ethenoxy-N-methylethanamine
CID 102455971
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
ethenoxymethylbenzene
CID 11116115
bis(2-phenylethyl)-selanylidene-selenido-λ5-phosphane
CID 46910600
benzyl 2-ethenoxyethyl carbonate
CID 19813780
diphenyl-(2-phenylethyl)-selanylidene-λ5-phosphane
CID 132605440
1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
CID 22082114
ethane;ethenoxymethylbenzene
CID 144676673
N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
CID 43100461
N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine
CID 132533081
1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine
CID 43145154
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine?
The IUPAC name of N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine (CID 102455976) is N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine.
What is the SMILES notation for N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine?
The canonical SMILES for N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine is C=COCCNP(=[Se])(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine?
The InChIKey is YQYNZTKJHKKWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NOPSe/c1-2-22-16-15-21-23(24,17-13-19-9-5-3-6-10-19)18-14-20-11-7-4-8-12-20/h2-12H,1,13-18H2,(H,21,24).
What are the key properties of N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine?
N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine has a molecular weight of 406.37 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine is sourced from PubChem (CID 102455976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).