2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride

C10H15BrClNO — CID 17385872

IUPAC2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cc(Br)cc(C)c1OCCN.Cl
InChIInChI=1S/C10H14BrNO.ClH/c1-7-5-9(11)6-8(2)10(7)13-4-3-12;/h5-6H,3-4,12H2,1-2H3;1H
InChIKeyZXJMNSGOXYCXSN-UHFFFAOYSA-N
MW280.59 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride

2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride (PubChem CID 17385872) has the molecular formula C10H15BrClNO and a molecular weight of 280.59 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride
PubChem CID17385872
Molecular FormulaC10H15BrClNO
Molecular Weight280.59 g/mol
Exact Mass279.00
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cc(Br)cc(C)c1OCCN.Cl
InChIInChI=1S/C10H14BrNO.ClH/c1-7-5-9(11)6-8(2)10(7)13-4-3-12;/h5-6H,3-4,12H2,1-2H3;1H
InChIKeyZXJMNSGOXYCXSN-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mexiletine Hydrochloride
CID 21467
2-(5-Bromo-2-methoxyphenyl)ethanamine
CID 2735583
1-(2,6-Dimethylphenoxy)-3-methylbutan-2-amine;hydrochloride
CID 21429267
5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene
CID 641270
4-Bromo-2,6-dimethylanisole
CID 278654
2-(4-Bromo-2,6-dimethyl-phenoxy)-ethylamine
CID 1732907
2-(2,6-Dimethylphenoxy)Ethanamine
CID 2794207
Mexitil
CID 44724350
Cambridge id 7321554
CID 2182044
5-Bromo-2-methoxyphenethylamine hydrobromide
CID 2757038
6-bromo-3,4-dihydro-2H-1-benzopyran-3-amine hydrochloride
CID 49835898
2-(5-Bromo-2-methoxyphenyl)ethan-1-amine hydrochloride
CID 54595622

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride (CID 17385872) is 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride is Cc1cc(Br)cc(C)c1OCCN.Cl.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride?
The InChIKey is ZXJMNSGOXYCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO.ClH/c1-7-5-9(11)6-8(2)10(7)13-4-3-12;/h5-6H,3-4,12H2,1-2H3;1H.
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride?
2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride has a molecular weight of 280.59 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 17385872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).