3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine

C9H14BrNS — CID 80537311

IUPAC3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1sccc1Br
InChIInChI=1S/C9H14BrNS/c1-9(2,4-5-11)8-7(10)3-6-12-8/h3,6H,4-5,11H2,1-2H3
InChIKeyBPQVEDIIVXSNTQ-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.14
Rot. Bonds3

About 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine

3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine (PubChem CID 80537311) has the molecular formula C9H14BrNS and a molecular weight of 248.19 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine
PubChem CID80537311
Molecular FormulaC9H14BrNS
Molecular Weight248.19 g/mol
Exact Mass247.00
IUPAC Name3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1sccc1Br
InChIInChI=1S/C9H14BrNS/c1-9(2,4-5-11)8-7(10)3-6-12-8/h3,6H,4-5,11H2,1-2H3
InChIKeyBPQVEDIIVXSNTQ-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(4-chloro-2-methylbutan-2-yl)thiophene
CID 80536754
2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine
CID 112565119
3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine
CID 69262729
3-(7-bromo-1-benzothiophen-3-yl)-3-methylbutan-1-amine
CID 81146769
3-(4-bromo-5-methylthiophen-2-yl)-3-methylbutan-1-amine
CID 102838799
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
CID 115200327
3-(3-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80531932
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174
3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888474

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine (CID 80537311) is 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine is CC(C)(CCN)c1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine?
The InChIKey is BPQVEDIIVXSNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS/c1-9(2,4-5-11)8-7(10)3-6-12-8/h3,6H,4-5,11H2,1-2H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine?
3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine has a molecular weight of 248.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 80537311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).