2-diethoxyphosphorylethanamine;hydrochloride

C6H17ClNO3P — CID 21435836

IUPAC2-diethoxyphosphorylethanamine;hydrochloride
SMILESCCOP(=O)(CCN)OCC.Cl
InChIInChI=1S/C6H16NO3P.ClH/c1-3-9-11(8,6-5-7)10-4-2;/h3-7H2,1-2H3;1H
InChIKeyKMPHGKKWADLZQN-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.63
Rot. Bonds6

About 2-diethoxyphosphorylethanamine;hydrochloride

2-diethoxyphosphorylethanamine;hydrochloride (PubChem CID 21435836) has the molecular formula C6H17ClNO3P and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-diethoxyphosphorylethanamine;hydrochloride.

Molecular Properties

Compound Name2-diethoxyphosphorylethanamine;hydrochloride
PubChem CID21435836
Molecular FormulaC6H17ClNO3P
Molecular Weight217.63 g/mol
Exact Mass217.06
IUPAC Name2-diethoxyphosphorylethanamine;hydrochloride
SMILESCCOP(=O)(CCN)OCC.Cl
InChIInChI=1S/C6H16NO3P.ClH/c1-3-9-11(8,6-5-7)10-4-2;/h3-7H2,1-2H3;1H
InChIKeyKMPHGKKWADLZQN-UHFFFAOYSA-N
XLogP1.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
2-[ethoxy(ethyl)phosphoryl]ethanamine
CID 142790318
1-diethoxyphosphoryldecane
CID 2773697
2-deuterio-1-diethoxyphosphorylbutane
CID 102385353
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-diethoxyphosphorylundecane
CID 57360026
O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
CID 173210989
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
bis(2-[ethoxy(ethyl)phosphoryl]ethanamine);oxalic acid
CID 174887995
[11-aminoundecyl(ethoxy)phosphoryl]oxy-methylphosphinic acid
CID 87929330
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
4-diethoxyphosphorylbut-2-en-1-amine
CID 54382896

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylethanamine;hydrochloride?
The IUPAC name of 2-diethoxyphosphorylethanamine;hydrochloride (CID 21435836) is 2-diethoxyphosphorylethanamine;hydrochloride.
What is the SMILES notation for 2-diethoxyphosphorylethanamine;hydrochloride?
The canonical SMILES for 2-diethoxyphosphorylethanamine;hydrochloride is CCOP(=O)(CCN)OCC.Cl.
What is the InChIKey of 2-diethoxyphosphorylethanamine;hydrochloride?
The InChIKey is KMPHGKKWADLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P.ClH/c1-3-9-11(8,6-5-7)10-4-2;/h3-7H2,1-2H3;1H.
What are the key properties of 2-diethoxyphosphorylethanamine;hydrochloride?
2-diethoxyphosphorylethanamine;hydrochloride has a molecular weight of 217.63 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylethanamine;hydrochloride is sourced from PubChem (CID 21435836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).