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

C9H12BrNO — CID 2735583

IUPAC2-(5-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CCN
InChIInChI=1S/C9H12BrNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyVYKUQILPLBAETB-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.96
Rot. Bonds3

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

2-(5-bromo-2-methoxyphenyl)ethanamine (PubChem CID 2735583) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)ethanamine
PubChem CID2735583
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-(5-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CCN
InChIInChI=1S/C9H12BrNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyVYKUQILPLBAETB-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.96
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?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)ethanamine (CID 2735583) is 2-(5-bromo-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)ethanamine is COc1ccc(Br)cc1CCN.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)ethanamine?
The InChIKey is VYKUQILPLBAETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)ethanamine has a molecular weight of 230.10 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 2735583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).