N-benzyl-N-diethoxyphosphorylethanamine

C13H22NO3P — CID 13268716

IUPACN-benzyl-N-diethoxyphosphorylethanamine
SMILESCCOP(=O)(OCC)N(CC)Cc1ccccc1
InChIInChI=1S/C13H22NO3P/c1-4-14(12-13-10-8-7-9-11-13)18(15,16-5-2)17-6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyFDEDXCYMCXJQMA-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.69
Rot. Bonds8

About N-benzyl-N-diethoxyphosphorylethanamine

N-benzyl-N-diethoxyphosphorylethanamine (PubChem CID 13268716) has the molecular formula C13H22NO3P and a molecular weight of 271.30 g/mol. Its IUPAC name is N-benzyl-N-diethoxyphosphorylethanamine.

Molecular Properties

Compound NameN-benzyl-N-diethoxyphosphorylethanamine
PubChem CID13268716
Molecular FormulaC13H22NO3P
Molecular Weight271.30 g/mol
Exact Mass271.13
IUPAC NameN-benzyl-N-diethoxyphosphorylethanamine
SMILESCCOP(=O)(OCC)N(CC)Cc1ccccc1
InChIInChI=1S/C13H22NO3P/c1-4-14(12-13-10-8-7-9-11-13)18(15,16-5-2)17-6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyFDEDXCYMCXJQMA-UHFFFAOYSA-N
XLogP3.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine
CID 134951060
2-diethoxyphosphorylethylbenzene
CID 3448525
N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid
CID 58140309
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)
CID 25169005
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
1-phenyl-N,N-bis(triethoxysilyl)methanamine
CID 100995082
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
N-bis(2-benzyl-1,3-diphenylpropan-2-yl)phosphoryl-N-ethylethanamine
CID 141404813
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-diethoxyphosphorylethanamine?
The IUPAC name of N-benzyl-N-diethoxyphosphorylethanamine (CID 13268716) is N-benzyl-N-diethoxyphosphorylethanamine.
What is the SMILES notation for N-benzyl-N-diethoxyphosphorylethanamine?
The canonical SMILES for N-benzyl-N-diethoxyphosphorylethanamine is CCOP(=O)(OCC)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-diethoxyphosphorylethanamine?
The InChIKey is FDEDXCYMCXJQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO3P/c1-4-14(12-13-10-8-7-9-11-13)18(15,16-5-2)17-6-3/h7-11H,4-6,12H2,1-3H3.
What are the key properties of N-benzyl-N-diethoxyphosphorylethanamine?
N-benzyl-N-diethoxyphosphorylethanamine has a molecular weight of 271.30 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-diethoxyphosphorylethanamine is sourced from PubChem (CID 13268716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).