2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine

C4H11INO2P — CID 163726957

IUPAC2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine
SMILESCOP(C)(=O)NCCI
InChIInChI=1S/C4H11INO2P/c1-8-9(2,7)6-4-3-5/h3-4H2,1-2H3,(H,6,7)
InChIKeyKWKZARHHRWIJEO-UHFFFAOYSA-N
MW263.01 g/mol
LogP1.48
Rot. Bonds4

About 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine

2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine (PubChem CID 163726957) has the molecular formula C4H11INO2P and a molecular weight of 263.01 g/mol. Its IUPAC name is 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine.

Molecular Properties

Compound Name2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine
PubChem CID163726957
Molecular FormulaC4H11INO2P
Molecular Weight263.01 g/mol
Exact Mass262.96
IUPAC Name2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine
SMILESCOP(C)(=O)NCCI
InChIInChI=1S/C4H11INO2P/c1-8-9(2,7)6-4-3-5/h3-4H2,1-2H3,(H,6,7)
InChIKeyKWKZARHHRWIJEO-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.01
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine?
The IUPAC name of 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine (CID 163726957) is 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine.
What is the SMILES notation for 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine?
The canonical SMILES for 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine is COP(C)(=O)NCCI.
What is the InChIKey of 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine?
The InChIKey is KWKZARHHRWIJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11INO2P/c1-8-9(2,7)6-4-3-5/h3-4H2,1-2H3,(H,6,7).
What are the key properties of 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine?
2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine has a molecular weight of 263.01 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine is sourced from PubChem (CID 163726957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).