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

C12H21Cl2N2O3PS — CID 70262285

IUPAC2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
SMILESCOP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl.NCCO
InChIInChI=1S/C10H14Cl2NO2PS.C2H7NO/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12;3-1-2-4/h4-7H,1-3H3,(H,13,17);4H,1-3H2
InChIKeyUBXTWBOPUDIIFR-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.18
Rot. Bonds6

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

2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine (PubChem CID 70262285) has the molecular formula C12H21Cl2N2O3PS and a molecular weight of 375.26 g/mol. Its IUPAC name is 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine.

Molecular Properties

Compound Name2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
PubChem CID70262285
Molecular FormulaC12H21Cl2N2O3PS
Molecular Weight375.26 g/mol
Exact Mass374.04
IUPAC Name2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
SMILESCOP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl.NCCO
InChIInChI=1S/C10H14Cl2NO2PS.C2H7NO/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12;3-1-2-4/h4-7H,1-3H3,(H,13,17);4H,1-3H2
InChIKeyUBXTWBOPUDIIFR-UHFFFAOYSA-N
XLogP3.18
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 9299
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
N-[(2,4-dichlorophenoxy)-hydroxyphosphinothioyl]oxy-N-methylpropan-2-amine
CID 88829832
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
4-(2,4-dichlorophenoxy)pentan-1-amine
CID 62461001
ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate
CID 134828232
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
The IUPAC name of 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine (CID 70262285) is 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine.
What is the SMILES notation for 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
The canonical SMILES for 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine is COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl.NCCO.
What is the InChIKey of 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
The InChIKey is UBXTWBOPUDIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2NO2PS.C2H7NO/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12;3-1-2-4/h4-7H,1-3H3,(H,13,17);4H,1-3H2.
What are the key properties of 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine?
2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine has a molecular weight of 375.26 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine is sourced from PubChem (CID 70262285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).