1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride

C8H13BrClNS — CID 170894341

IUPAC1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride
SMILESCc1cc(CC(C)N)sc1Br.Cl
InChIInChI=1S/C8H12BrNS.ClH/c1-5-3-7(4-6(2)10)11-8(5)9;/h3,6H,4,10H2,1-2H3;1H
InChIKeyUKURXVTWEVEYDP-UHFFFAOYSA-N
MW270.62 g/mol
LogP3.13
Rot. Bonds2

About 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride

1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride (PubChem CID 170894341) has the molecular formula C8H13BrClNS and a molecular weight of 270.62 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride
PubChem CID170894341
Molecular FormulaC8H13BrClNS
Molecular Weight270.62 g/mol
Exact Mass268.96
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride
SMILESCc1cc(CC(C)N)sc1Br.Cl
InChIInChI=1S/C8H12BrNS.ClH/c1-5-3-7(4-6(2)10)11-8(5)9;/h3,6H,4,10H2,1-2H3;1H
InChIKeyUKURXVTWEVEYDP-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.62
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-4-methylthiophen-2-yl)butan-1-amine
CID 79991817
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine
CID 79990966
N-[(5-bromo-4-methylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115711129
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
CID 115407076
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247467
(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
CID 18656689
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride (CID 170894341) is 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride is Cc1cc(CC(C)N)sc1Br.Cl.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride?
The InChIKey is UKURXVTWEVEYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS.ClH/c1-5-3-7(4-6(2)10)11-8(5)9;/h3,6H,4,10H2,1-2H3;1H.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride?
1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride has a molecular weight of 270.62 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).