N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine

C10H14Cl2NO3PS — CID 88829832

IUPACN-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine
SMILESCC(C)N(C)OP(O)(=S)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2NO3PS/c1-7(2)13(3)16-17(14,18)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,14,18)
InChIKeyXWHZEOUFNNIYFO-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.86
Rot. Bonds5

About N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine

N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine (PubChem CID 88829832) has the molecular formula C10H14Cl2NO3PS and a molecular weight of 330.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine
PubChem CID88829832
Molecular FormulaC10H14Cl2NO3PS
Molecular Weight330.17 g/mol
Exact Mass328.98
IUPAC NameN-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine
SMILESCC(C)N(C)OP(O)(=S)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2NO3PS/c1-7(2)13(3)16-17(14,18)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,14,18)
InChIKeyXWHZEOUFNNIYFO-UHFFFAOYSA-N
XLogP3.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 9299
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 70262285
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
CID 88780474
1,1-bis(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-ol
CID 13326121
2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene
CID 54454428
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine?
The IUPAC name of N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine (CID 88829832) is N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine?
The canonical SMILES for N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine is CC(C)N(C)OP(O)(=S)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine?
The InChIKey is XWHZEOUFNNIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2NO3PS/c1-7(2)13(3)16-17(14,18)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,14,18).
What are the key properties of N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine?
N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine has a molecular weight of 330.17 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine is sourced from PubChem (CID 88829832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).