2-(2-iodophenyl)ethanamine;hydrochloride

C8H11ClIN — CID 20517474

IUPAC2-(2-iodophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccccc1I
InChIInChI=1S/C8H10IN.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyATTYJYOTKWDKLR-UHFFFAOYSA-N
MW283.54 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-iodophenyl)ethanamine;hydrochloride

2-(2-iodophenyl)ethanamine;hydrochloride (PubChem CID 20517474) has the molecular formula C8H11ClIN and a molecular weight of 283.54 g/mol. Its IUPAC name is 2-(2-iodophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-iodophenyl)ethanamine;hydrochloride
PubChem CID20517474
Molecular FormulaC8H11ClIN
Molecular Weight283.54 g/mol
Exact Mass282.96
IUPAC Name2-(2-iodophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccccc1I
InChIInChI=1S/C8H10IN.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyATTYJYOTKWDKLR-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-iodophenyl)ethanamine;hydrochloride (CID 20517474) is 2-(2-iodophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-iodophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-iodophenyl)ethanamine;hydrochloride is Cl.NCCc1ccccc1I.
What is the InChIKey of 2-(2-iodophenyl)ethanamine;hydrochloride?
The InChIKey is ATTYJYOTKWDKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(2-iodophenyl)ethanamine;hydrochloride?
2-(2-iodophenyl)ethanamine;hydrochloride has a molecular weight of 283.54 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 20517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).