2-(2-bromophenyl)ethanamine;hydrochloride

C8H11BrClN — CID 66717501

IUPAC2-(2-bromophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccccc1Br
InChIInChI=1S/C8H10BrN.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyUDIYJINUTANDCY-UHFFFAOYSA-N
MW236.54 g/mol
LogP2.37
Rot. Bonds2

About 2-(2-bromophenyl)ethanamine;hydrochloride

2-(2-bromophenyl)ethanamine;hydrochloride (PubChem CID 66717501) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 2-(2-bromophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-bromophenyl)ethanamine;hydrochloride
PubChem CID66717501
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name2-(2-bromophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccccc1Br
InChIInChI=1S/C8H10BrN.ClH/c9-8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyUDIYJINUTANDCY-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-bromophenyl)ethanamine;hydrochloride (CID 66717501) is 2-(2-bromophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-bromophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-bromophenyl)ethanamine;hydrochloride is Cl.NCCc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)ethanamine;hydrochloride?
The InChIKey is UDIYJINUTANDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.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-bromophenyl)ethanamine;hydrochloride?
2-(2-bromophenyl)ethanamine;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 66717501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).