N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine

C10H14Cl2NO2PS — CID 9299

IUPACN-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
SMILESCOP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)
InChIKeyPJFGPJQBWSEWKX-UHFFFAOYSA-N
MW314.17 g/mol
LogP4.24
Rot. Bonds5

About N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine

N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine (PubChem CID 9299) has the molecular formula C10H14Cl2NO2PS and a molecular weight of 314.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
PubChem CID9299
Molecular FormulaC10H14Cl2NO2PS
Molecular Weight314.17 g/mol
Exact Mass312.99
IUPAC NameN-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
SMILESCOP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)
InChIKeyPJFGPJQBWSEWKX-UHFFFAOYSA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 70262285
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine
CID 88829832
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
N-(2,4-dichlorophenoxy)methanamine
CID 174617180
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
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)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12557316
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
The IUPAC name of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine (CID 9299) is N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine.
What is the SMILES notation for N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
The canonical SMILES for N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine is COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
The InChIKey is PJFGPJQBWSEWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17).
What are the key properties of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine has a molecular weight of 314.17 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine is sourced from PubChem (CID 9299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).