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

C9H13Br2NO — CID 2757038

IUPAC2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide
SMILESBr.COc1ccc(Br)cc1CCN
InChIInChI=1S/C9H12BrNO.BrH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyNWMRUSBUYMGDSC-UHFFFAOYSA-N
MW311.02 g/mol
LogP2.54
Rot. Bonds3

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

2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide (PubChem CID 2757038) has the molecular formula C9H13Br2NO and a molecular weight of 311.02 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide
PubChem CID2757038
Molecular FormulaC9H13Br2NO
Molecular Weight311.02 g/mol
Exact Mass308.94
IUPAC Name2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide
SMILESBr.COc1ccc(Br)cc1CCN
InChIInChI=1S/C9H12BrNO.BrH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyNWMRUSBUYMGDSC-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.02
LogP ≤ 52.54
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;hydrobromide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide (CID 2757038) is 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide is Br.COc1ccc(Br)cc1CCN.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide?
The InChIKey is NWMRUSBUYMGDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.BrH/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;hydrobromide?
2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide has a molecular weight of 311.02 g/mol, XLogP of 2.54, 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;hydrobromide is sourced from PubChem (CID 2757038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).