3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine

C11H18BrNS — CID 102838797

IUPAC3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1cc(Br)c(C)s1
InChIInChI=1S/C11H18BrNS/c1-8-9(12)7-10(14-8)11(2,3)5-6-13-4/h7,13H,5-6H2,1-4H3
InChIKeyURFMVRBRQIVQAM-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine

3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine (PubChem CID 102838797) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine
PubChem CID102838797
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1cc(Br)c(C)s1
InChIInChI=1S/C11H18BrNS/c1-8-9(12)7-10(14-8)11(2,3)5-6-13-4/h7,13H,5-6H2,1-4H3
InChIKeyURFMVRBRQIVQAM-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-5-methylthiophen-2-yl)-3-methylbutan-1-amine
CID 102838799
3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene
CID 102838828
3-(4-bromo-2,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 79830227
3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine
CID 79829708
3-(2-chloro-4,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 115485108
3-(4,5-dibromothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80534974
3-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 102838807
3-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 79990859
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylpentan-3-amine
CID 106328072
1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102827298
3-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79992461
1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine
CID 102844339

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine (CID 102838797) is 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1cc(Br)c(C)s1.
What is the InChIKey of 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is URFMVRBRQIVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-8-9(12)7-10(14-8)11(2,3)5-6-13-4/h7,13H,5-6H2,1-4H3.
What are the key properties of 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine?
3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 102838797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).