2-chloro-N-diethoxyphosphorylethanamine

C6H15ClNO3P — CID 11127656

IUPAC2-chloro-N-diethoxyphosphorylethanamine
SMILESCCOP(=O)(NCCCl)OCC
InChIInChI=1S/C6H15ClNO3P/c1-3-10-12(9,11-4-2)8-6-5-7/h3-6H2,1-2H3,(H,8,9)
InChIKeySKBUVZQAWVZOTR-UHFFFAOYSA-N
MW215.62 g/mol
LogP2.00
Rot. Bonds7

About 2-chloro-N-diethoxyphosphorylethanamine

2-chloro-N-diethoxyphosphorylethanamine (PubChem CID 11127656) has the molecular formula C6H15ClNO3P and a molecular weight of 215.62 g/mol. Its IUPAC name is 2-chloro-N-diethoxyphosphorylethanamine.

Molecular Properties

Compound Name2-chloro-N-diethoxyphosphorylethanamine
PubChem CID11127656
Molecular FormulaC6H15ClNO3P
Molecular Weight215.62 g/mol
Exact Mass215.05
IUPAC Name2-chloro-N-diethoxyphosphorylethanamine
SMILESCCOP(=O)(NCCCl)OCC
InChIInChI=1S/C6H15ClNO3P/c1-3-10-12(9,11-4-2)8-6-5-7/h3-6H2,1-2H3,(H,8,9)
InChIKeySKBUVZQAWVZOTR-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
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

2-chloro-N-[ethoxy(propylsulfanyl)phosphoryl]ethanamine
CID 88818040
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
S-[2-(diethoxyphosphorylamino)ethyl] ethanethioate
CID 21305988
2-chloro-N-[(2-chloroethylamino)-(2-methylsulfonylethoxy)phosphoryl]ethanamine
CID 11336374
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
CID 23534642
2-[2-chloroethyl(ethoxy)phosphoryl]propane
CID 71392643
copper;diethyl hydrogen phosphate
CID 174593393
N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
CID 87075379
N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide
CID 2337856
N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine
CID 126542293

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-diethoxyphosphorylethanamine?
The IUPAC name of 2-chloro-N-diethoxyphosphorylethanamine (CID 11127656) is 2-chloro-N-diethoxyphosphorylethanamine.
What is the SMILES notation for 2-chloro-N-diethoxyphosphorylethanamine?
The canonical SMILES for 2-chloro-N-diethoxyphosphorylethanamine is CCOP(=O)(NCCCl)OCC.
What is the InChIKey of 2-chloro-N-diethoxyphosphorylethanamine?
The InChIKey is SKBUVZQAWVZOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClNO3P/c1-3-10-12(9,11-4-2)8-6-5-7/h3-6H2,1-2H3,(H,8,9).
What are the key properties of 2-chloro-N-diethoxyphosphorylethanamine?
2-chloro-N-diethoxyphosphorylethanamine has a molecular weight of 215.62 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-diethoxyphosphorylethanamine is sourced from PubChem (CID 11127656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).