2-chloroethanamine;ethylphosphonic acid

C6H20ClNO6P2 — CID 87993583

IUPAC2-chloroethanamine;ethylphosphonic acid
SMILESCCP(=O)(O)O.CCP(=O)(O)O.NCCCl
InChIInChI=1S/C2H6ClN.2C2H7O3P/c3-1-2-4;2*1-2-6(3,4)5/h1-2,4H2;2*2H2,1H3,(H2,3,4,5)
InChIKeyHUBSIEVKPPLRHT-UHFFFAOYSA-N
MW299.63 g/mol
LogP0.55
Rot. Bonds3

About 2-chloroethanamine;ethylphosphonic acid

2-chloroethanamine;ethylphosphonic acid (PubChem CID 87993583) has the molecular formula C6H20ClNO6P2 and a molecular weight of 299.63 g/mol. Its IUPAC name is 2-chloroethanamine;ethylphosphonic acid.

Molecular Properties

Compound Name2-chloroethanamine;ethylphosphonic acid
PubChem CID87993583
Molecular FormulaC6H20ClNO6P2
Molecular Weight299.63 g/mol
Exact Mass299.05
IUPAC Name2-chloroethanamine;ethylphosphonic acid
SMILESCCP(=O)(O)O.CCP(=O)(O)O.NCCCl
InChIInChI=1S/C2H6ClN.2C2H7O3P/c3-1-2-4;2*1-2-6(3,4)5/h1-2,4H2;2*2H2,1H3,(H2,3,4,5)
InChIKeyHUBSIEVKPPLRHT-UHFFFAOYSA-N
XLogP0.55
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.63
LogP ≤ 50.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
sodium;ethylphosphonic acid;hydride
CID 173023675
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976
ethane-1,2-diamine;methylphosphonic acid
CID 19349473
bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
CID 13294663
N-ethylethanamine;ethylphosphonic acid
CID 174663902
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
2-chloroethanamine;methane
CID 174938218
diethylphosphinic acid
CID 123698390
aminomethylphosphonic acid;azane
CID 173452353
aminomethylphosphonic acid;hydrate
CID 172785575

Frequently Asked Questions

What is the IUPAC name of 2-chloroethanamine;ethylphosphonic acid?
The IUPAC name of 2-chloroethanamine;ethylphosphonic acid (CID 87993583) is 2-chloroethanamine;ethylphosphonic acid.
What is the SMILES notation for 2-chloroethanamine;ethylphosphonic acid?
The canonical SMILES for 2-chloroethanamine;ethylphosphonic acid is CCP(=O)(O)O.CCP(=O)(O)O.NCCCl.
What is the InChIKey of 2-chloroethanamine;ethylphosphonic acid?
The InChIKey is HUBSIEVKPPLRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClN.2C2H7O3P/c3-1-2-4;2*1-2-6(3,4)5/h1-2,4H2;2*2H2,1H3,(H2,3,4,5).
What are the key properties of 2-chloroethanamine;ethylphosphonic acid?
2-chloroethanamine;ethylphosphonic acid has a molecular weight of 299.63 g/mol, XLogP of 0.55, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanamine;ethylphosphonic acid is sourced from PubChem (CID 87993583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).