ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate

C15H18NO3P — CID 139059161

IUPACethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate
SMILESCCOP(=O)([O-])[C@@H]([NH2+]c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO3P/c1-2-19-20(17,18)15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyFXIAAFILGDDMRW-OAHLLOKOSA-N
MW291.29 g/mol
LogP2.17
Rot. Bonds6

About ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate

ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate (PubChem CID 139059161) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate.

Molecular Properties

Compound Nameethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate
PubChem CID139059161
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Nameethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate
SMILESCCOP(=O)([O-])[C@@H]([NH2+]c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO3P/c1-2-19-20(17,18)15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyFXIAAFILGDDMRW-OAHLLOKOSA-N
XLogP2.17
TPSA65.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(diethoxyphosphoryl)methylbenzene
CID 11132243
sodium;ethoxy-[phenyl-(4-phenyldiazenylanilino)methyl]phosphinate;hydrate
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diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
(1-diethoxyphosphoryl-2-nitropropyl)benzene
CID 10017727
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)
CID 25169005
[(1R)-1-diethoxyphosphoryl-2-nitroethyl]benzene
CID 7031986
(2-diethoxyphosphoryl-1-nitro-2-phenylethyl)benzene
CID 10361332
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767

Frequently Asked Questions

What is the IUPAC name of ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate?
The IUPAC name of ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate (CID 139059161) is ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate.
What is the SMILES notation for ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate?
The canonical SMILES for ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate is CCOP(=O)([O-])[C@@H]([NH2+]c1ccccc1)c1ccccc1.
What is the InChIKey of ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate?
The InChIKey is FXIAAFILGDDMRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18NO3P/c1-2-19-20(17,18)15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate?
ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate has a molecular weight of 291.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate is sourced from PubChem (CID 139059161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).