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

C11H18BrNS — CID 102827056

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
SMILESCc1sc(C(N)CC(C)(C)C)cc1Br
InChIInChI=1S/C11H18BrNS/c1-7-8(12)5-10(14-7)9(13)6-11(2,3)4/h5,9H,6,13H2,1-4H3
InChIKeyHJEKXYKAOWAEMB-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.26
Rot. Bonds2

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

1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine (PubChem CID 102827056) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
PubChem CID102827056
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
SMILESCc1sc(C(N)CC(C)(C)C)cc1Br
InChIInChI=1S/C11H18BrNS/c1-7-8(12)5-10(14-7)9(13)6-11(2,3)4/h5,9H,6,13H2,1-4H3
InChIKeyHJEKXYKAOWAEMB-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine with MolForge

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102827298
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
CID 102827028
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 130553169
2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine
CID 102845248
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
methyl 5-amino-5-(4-bromo-5-methylthiophen-2-yl)-3-methylpentanoate
CID 102828928
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine (CID 102827056) is 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine is Cc1sc(C(N)CC(C)(C)C)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is HJEKXYKAOWAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-7-8(12)5-10(14-7)9(13)6-11(2,3)4/h5,9H,6,13H2,1-4H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine?
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 102827056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).