O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride

C5H16ClN2O3P — CID 173210989

IUPACO-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
SMILESCCOP(=O)(CCNC)ON.Cl
InChIInChI=1S/C5H15N2O3P.ClH/c1-3-9-11(8,10-6)5-4-7-2;/h7H,3-6H2,1-2H3;1H
InChIKeyRADQPLASOKDARZ-UHFFFAOYSA-N
MW218.62 g/mol
LogP0.75
Rot. Bonds6

About O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride

O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride (PubChem CID 173210989) has the molecular formula C5H16ClN2O3P and a molecular weight of 218.62 g/mol. Its IUPAC name is O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
PubChem CID173210989
Molecular FormulaC5H16ClN2O3P
Molecular Weight218.62 g/mol
Exact Mass218.06
IUPAC NameO-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
SMILESCCOP(=O)(CCNC)ON.Cl
InChIInChI=1S/C5H15N2O3P.ClH/c1-3-9-11(8,10-6)5-4-7-2;/h7H,3-6H2,1-2H3;1H
InChIKeyRADQPLASOKDARZ-UHFFFAOYSA-N
XLogP0.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine
CID 146259268
N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
CID 87075379
N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
CID 88863403
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
6-(2-diethoxyphosphorylethylamino)hexan-1-ol
CID 175947298
(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium
CID 90958490
2-N-(2-diethoxyphosphorylethyl)benzene-1,2-diamine
CID 10730873
N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
CID 88586309
4,4-bis(diethoxyphosphoryl)-N-methylbutan-1-amine
CID 19699981
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666

Frequently Asked Questions

What is the IUPAC name of O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride?
The IUPAC name of O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride (CID 173210989) is O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride is CCOP(=O)(CCNC)ON.Cl.
What is the InChIKey of O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride?
The InChIKey is RADQPLASOKDARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2O3P.ClH/c1-3-9-11(8,10-6)5-4-7-2;/h7H,3-6H2,1-2H3;1H.
What are the key properties of O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride?
O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride has a molecular weight of 218.62 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride is sourced from PubChem (CID 173210989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).