2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride

C10H14BrCl2NO — CID 88540322

IUPAC2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
SMILESCOc1c(CCN)cc(Cl)c(C)c1Br.Cl
InChIInChI=1S/C10H13BrClNO.ClH/c1-6-8(12)5-7(3-4-13)10(14-2)9(6)11;/h5H,3-4,13H2,1-2H3;1H
InChIKeyGBXGQSYJJUMZLA-UHFFFAOYSA-N
MW315.04 g/mol
LogP3.34
Rot. Bonds3

About 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride

2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride (PubChem CID 88540322) has the molecular formula C10H14BrCl2NO and a molecular weight of 315.04 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
PubChem CID88540322
Molecular FormulaC10H14BrCl2NO
Molecular Weight315.04 g/mol
Exact Mass312.96
IUPAC Name2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
SMILESCOc1c(CCN)cc(Cl)c(C)c1Br.Cl
InChIInChI=1S/C10H13BrClNO.ClH/c1-6-8(12)5-7(3-4-13)10(14-2)9(6)11;/h5H,3-4,13H2,1-2H3;1H
InChIKeyGBXGQSYJJUMZLA-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.04
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
CID 162461406
1-[3-(2-aminoethyl)-5-chloro-2-methoxy-6-methylphenyl]pyrrolidin-2-one
CID 88540611
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
CID 117335626
2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine
CID 170888180
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
CID 170888160
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride (CID 88540322) is 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride is COc1c(CCN)cc(Cl)c(C)c1Br.Cl.
What is the InChIKey of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The InChIKey is GBXGQSYJJUMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO.ClH/c1-6-8(12)5-7(3-4-13)10(14-2)9(6)11;/h5H,3-4,13H2,1-2H3;1H.
What are the key properties of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride has a molecular weight of 315.04 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 88540322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).