2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine

C9H14BrNS — CID 82296179

IUPAC2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNS/c1-6(2)9(3,11)7-4-5-8(10)12-7/h4-6H,11H2,1-3H3
InChIKeyBPAUVBKWEIXQMD-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.34
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine

2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine (PubChem CID 82296179) has the molecular formula C9H14BrNS and a molecular weight of 248.19 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine
PubChem CID82296179
Molecular FormulaC9H14BrNS
Molecular Weight248.19 g/mol
Exact Mass247.00
IUPAC Name2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNS/c1-6(2)9(3,11)7-4-5-8(10)12-7/h4-6H,11H2,1-3H3
InChIKeyBPAUVBKWEIXQMD-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(1,1-difluoroethyl)thiophene
CID 116841527
2-(5-bromothiophen-2-yl)butan-2-amine
CID 82475741
(2S)-2-(5-bromothiophen-2-yl)butan-2-amine
CID 96660698
N'-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203520
2-bromo-5-(1,1-difluoropropyl)thiophene
CID 116841242
3-(5-bromothiophen-2-yl)-3-hydroxybutanoic acid
CID 82049863
2-[1,1-bis(5-bromothiophen-2-yl)heptyl]-5-bromothiophene
CID 86053610
2-(4-tert-butylphenyl)-3-methylbutan-2-amine
CID 62548190
1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine
CID 66217511
2-N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929224
2-[[[2-(5-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254728
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine (CID 82296179) is 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine is CC(C)C(C)(N)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine?
The InChIKey is BPAUVBKWEIXQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS/c1-6(2)9(3,11)7-4-5-8(10)12-7/h4-6H,11H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine?
2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine has a molecular weight of 248.19 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 82296179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).