N-bromo-2-iodoethanamine

C2H5BrIN — CID 126749017

IUPACN-bromo-2-iodoethanamine
SMILESBrNCCI
InChIInChI=1S/C2H5BrIN/c3-5-2-1-4/h5H,1-2H2
InChIKeyCLEBOOFPACEYFA-UHFFFAOYSA-N
MW249.88 g/mol
LogP1.32
Rot. Bonds2

About N-bromo-2-iodoethanamine

N-bromo-2-iodoethanamine (PubChem CID 126749017) has the molecular formula C2H5BrIN and a molecular weight of 249.88 g/mol. Its IUPAC name is N-bromo-2-iodoethanamine.

Molecular Properties

Compound NameN-bromo-2-iodoethanamine
PubChem CID126749017
Molecular FormulaC2H5BrIN
Molecular Weight249.88 g/mol
Exact Mass248.87
IUPAC NameN-bromo-2-iodoethanamine
SMILESBrNCCI
InChIInChI=1S/C2H5BrIN/c3-5-2-1-4/h5H,1-2H2
InChIKeyCLEBOOFPACEYFA-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.88
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromo-2-iodoethanamine?
The IUPAC name of N-bromo-2-iodoethanamine (CID 126749017) is N-bromo-2-iodoethanamine.
What is the SMILES notation for N-bromo-2-iodoethanamine?
The canonical SMILES for N-bromo-2-iodoethanamine is BrNCCI.
What is the InChIKey of N-bromo-2-iodoethanamine?
The InChIKey is CLEBOOFPACEYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrIN/c3-5-2-1-4/h5H,1-2H2.
What are the key properties of N-bromo-2-iodoethanamine?
N-bromo-2-iodoethanamine has a molecular weight of 249.88 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2-iodoethanamine is sourced from PubChem (CID 126749017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).