N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine

C13H20NO3P — CID 172686597

IUPACN-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
SMILESCCOP(=O)(CC/N=C/c1ccccc1)OCC
InChIInChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/b14-12+
InChIKeyBCSGQBPYLNDVEC-WYMLVPIESA-N
MW269.28 g/mol
LogP3.37
Rot. Bonds8

About N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine

N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine (PubChem CID 172686597) has the molecular formula C13H20NO3P and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
PubChem CID172686597
Molecular FormulaC13H20NO3P
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC NameN-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
SMILESCCOP(=O)(CC/N=C/c1ccccc1)OCC
InChIInChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/b14-12+
InChIKeyBCSGQBPYLNDVEC-WYMLVPIESA-N
XLogP3.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphorylethylbenzene
CID 3448525
(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
CID 14908454
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
CID 102508862
2-diethoxyphosphorylethylsulfinylbenzene
CID 12956686
(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine
CID 13117188
2-(benzylideneamino)ethyl-trimethylazanium
CID 13048432
3-diethoxyphosphorylpropyl(diphenyl)phosphane
CID 54349013
N-(1-diethoxyphosphoryl-2-ethenylcyclopropyl)-1-phenylmethanimine
CID 72524248
1-phenyl-N-(2-propan-2-yloxyethyl)methanimine
CID 145468461
N-[3-[diethoxy(methyl)silyl]propyl]-1-phenylmethanimine;N-methylmethanamine
CID 22491514
(2S)-N,N'-bis(2-diethoxyphosphorylethyl)-1,2-diphenylethane-1,2-diamine
CID 58650642
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991

Frequently Asked Questions

What is the IUPAC name of N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine?
The IUPAC name of N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine (CID 172686597) is N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine?
The canonical SMILES for N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine is CCOP(=O)(CC/N=C/c1ccccc1)OCC.
What is the InChIKey of N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine?
The InChIKey is BCSGQBPYLNDVEC-WYMLVPIESA-N. The full InChI is InChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/b14-12+.
What are the key properties of N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine?
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine has a molecular weight of 269.28 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine is sourced from PubChem (CID 172686597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).