N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine

C4H10Cl2NO2P — CID 174765823

IUPACN-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine
SMILESCCOP(=O)(Cl)N(Cl)CC
InChIInChI=1S/C4H10Cl2NO2P/c1-3-7(5)10(6,8)9-4-2/h3-4H2,1-2H3
InChIKeyJWEYQUTUINSEND-UHFFFAOYSA-N
MW206.01 g/mol
LogP2.85
Rot. Bonds4

About N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine

N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine (PubChem CID 174765823) has the molecular formula C4H10Cl2NO2P and a molecular weight of 206.01 g/mol. Its IUPAC name is N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine.

Molecular Properties

Compound NameN-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine
PubChem CID174765823
Molecular FormulaC4H10Cl2NO2P
Molecular Weight206.01 g/mol
Exact Mass204.98
IUPAC NameN-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine
SMILESCCOP(=O)(Cl)N(Cl)CC
InChIInChI=1S/C4H10Cl2NO2P/c1-3-7(5)10(6,8)9-4-2/h3-4H2,1-2H3
InChIKeyJWEYQUTUINSEND-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[chloro(methyl)phosphoryl]methyl-ethoxyphosphoryl]oxyethane
CID 101210271
1-[[chloro(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]oxyethane
CID 23416616
triethyl phosphate;bis(trimethylsilane)
CID 175760856
1-dichlorophosphoryloxy-2-ethoxyethane
CID 12585942
1-[bis(iodomethyl)phosphoryloxy]ethane
CID 28223
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
tetrasodium ethyl phosphate
CID 141178132
CID 131882906
CID 131882906
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
disodium;ethyl phosphate
CID 11970393
diaminophosphoryloxyethane
CID 12620494
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine?
The IUPAC name of N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine (CID 174765823) is N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine.
What is the SMILES notation for N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine?
The canonical SMILES for N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine is CCOP(=O)(Cl)N(Cl)CC.
What is the InChIKey of N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine?
The InChIKey is JWEYQUTUINSEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl2NO2P/c1-3-7(5)10(6,8)9-4-2/h3-4H2,1-2H3.
What are the key properties of N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine?
N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine has a molecular weight of 206.01 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[chloro(ethoxy)phosphoryl]ethanamine is sourced from PubChem (CID 174765823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).