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

C10H15Cl2NO2PS+ — CID 71089665

IUPACN-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron
SMILESCOP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl.[H+]
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)/p+1
InChIKeyPJFGPJQBWSEWKX-UHFFFAOYSA-O
MW315.18 g/mol
LogP4.35
Rot. Bonds5

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

N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron (PubChem CID 71089665) has the molecular formula C10H15Cl2NO2PS+ and a molecular weight of 315.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron.

Molecular Properties

Compound NameN-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron
PubChem CID71089665
Molecular FormulaC10H15Cl2NO2PS+
Molecular Weight315.18 g/mol
Exact Mass313.99
IUPAC NameN-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron
SMILESCOP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl.[H+]
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)/p+1
InChIKeyPJFGPJQBWSEWKX-UHFFFAOYSA-O
XLogP4.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

CID 7328
CID 7328
CID 9299
CID 9299
CID 75178
CID 75178
CID 165009
CID 165009
CID 76117
CID 76117
CID 200722
CID 200722
CID 74131
CID 74131
CID 118265
CID 118265
CID 118890
CID 118890
CID 118903
CID 118903
CID 167722
CID 167722
CID 3035183
CID 3035183

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron?
The IUPAC name of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron (CID 71089665) is N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron.
What is the SMILES notation for N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron?
The canonical SMILES for N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron is COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl.[H+].
What is the InChIKey of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron?
The InChIKey is PJFGPJQBWSEWKX-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron?
N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron has a molecular weight of 315.18 g/mol, XLogP of 4.35, 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;hydron is sourced from PubChem (CID 71089665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).