1-diethoxyphosphoryl-N-phenylmethoxymethanamine

C12H20NO4P — CID 11832560

IUPAC1-diethoxyphosphoryl-N-phenylmethoxymethanamine
SMILESCCOP(=O)(CNOCc1ccccc1)OCC
InChIInChI=1S/C12H20NO4P/c1-3-16-18(14,17-4-2)11-13-15-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeySVKXHUUAEYITAC-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.93
Rot. Bonds9

About 1-diethoxyphosphoryl-N-phenylmethoxymethanamine

1-diethoxyphosphoryl-N-phenylmethoxymethanamine (PubChem CID 11832560) has the molecular formula C12H20NO4P and a molecular weight of 273.27 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-phenylmethoxymethanamine
PubChem CID11832560
Molecular FormulaC12H20NO4P
Molecular Weight273.27 g/mol
Exact Mass273.11
IUPAC Name1-diethoxyphosphoryl-N-phenylmethoxymethanamine
SMILESCCOP(=O)(CNOCc1ccccc1)OCC
InChIInChI=1S/C12H20NO4P/c1-3-16-18(14,17-4-2)11-13-15-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeySVKXHUUAEYITAC-UHFFFAOYSA-N
XLogP2.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 15458754
2-diethoxyphosphorylethylbenzene
CID 3448525
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
2-diethoxyphosphorylprop-2-enoxymethylbenzene
CID 11129808
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
benzyl ethyl methyl phosphate
CID 152677778
ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid
CID 118433499
(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
CID 149250728
4-O-benzyl 1-O-methyl (2R)-2-(2-diethoxyphosphorylethyl)butanedioate
CID 58153516
(1R,2S,3R,4R,5S,6S)-3-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 122389774
(213C)ethoxymethylbenzene
CID 87947851

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-phenylmethoxymethanamine?
The IUPAC name of 1-diethoxyphosphoryl-N-phenylmethoxymethanamine (CID 11832560) is 1-diethoxyphosphoryl-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-diethoxyphosphoryl-N-phenylmethoxymethanamine?
The canonical SMILES for 1-diethoxyphosphoryl-N-phenylmethoxymethanamine is CCOP(=O)(CNOCc1ccccc1)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-N-phenylmethoxymethanamine?
The InChIKey is SVKXHUUAEYITAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO4P/c1-3-16-18(14,17-4-2)11-13-15-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-N-phenylmethoxymethanamine?
1-diethoxyphosphoryl-N-phenylmethoxymethanamine has a molecular weight of 273.27 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-phenylmethoxymethanamine is sourced from PubChem (CID 11832560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).