2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride

C9H13BrClNO — CID 54595622

IUPAC2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(Br)cc1CCN.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyJBUWGKPQQYRYCQ-UHFFFAOYSA-N
MW266.57 g/mol
LogP2.38
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride

2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 54595622) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride
PubChem CID54595622
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(Br)cc1CCN.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyJBUWGKPQQYRYCQ-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride (CID 54595622) is 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride is COc1ccc(Br)cc1CCN.Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is JBUWGKPQQYRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride?
2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 54595622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).