N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine

C7H18NO2P — CID 520090

IUPACN-[ethoxy(methyl)phosphoryl]-N-ethylethanamine
SMILESCCOP(C)(=O)N(CC)CC
InChIInChI=1S/C7H18NO2P/c1-5-8(6-2)11(4,9)10-7-3/h5-7H2,1-4H3
InChIKeyGGLHKHSRJXGTRZ-UHFFFAOYSA-N
MW179.20 g/mol
LogP2.19
Rot. Bonds5

About N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine

N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine (PubChem CID 520090) has the molecular formula C7H18NO2P and a molecular weight of 179.20 g/mol. Its IUPAC name is N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[ethoxy(methyl)phosphoryl]-N-ethylethanamine
PubChem CID520090
Molecular FormulaC7H18NO2P
Molecular Weight179.20 g/mol
Exact Mass179.11
IUPAC NameN-[ethoxy(methyl)phosphoryl]-N-ethylethanamine
SMILESCCOP(C)(=O)N(CC)CC
InChIInChI=1S/C7H18NO2P/c1-5-8(6-2)11(4,9)10-7-3/h5-7H2,1-4H3
InChIKeyGGLHKHSRJXGTRZ-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine (CID 520090) is N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine is CCOP(C)(=O)N(CC)CC.
What is the InChIKey of N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine?
The InChIKey is GGLHKHSRJXGTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO2P/c1-5-8(6-2)11(4,9)10-7-3/h5-7H2,1-4H3.
What are the key properties of N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine?
N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine has a molecular weight of 179.20 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(methyl)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 520090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).