1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine

C11H17BrClNS — CID 102828241

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H17BrClNS/c1-11(2,3)6-8(14-4)9-5-7(12)10(13)15-9/h5,8,14H,6H2,1-4H3
InChIKeyBKHUPLKSEQEFFH-UHFFFAOYSA-N
MW310.69 g/mol
LogP4.86
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine

1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine (PubChem CID 102828241) has the molecular formula C11H17BrClNS and a molecular weight of 310.69 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
PubChem CID102828241
Molecular FormulaC11H17BrClNS
Molecular Weight310.69 g/mol
Exact Mass309.00
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H17BrClNS/c1-11(2,3)6-8(14-4)9-5-7(12)10(13)15-9/h5,8,14H,6H2,1-4H3
InChIKeyBKHUPLKSEQEFFH-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102828379
1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102827298
1-(5-chloro-4-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102763623
1-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102828609
1-(4-bromo-5-chlorothiophen-2-yl)-N,2,2-trimethylbutan-1-amine
CID 102828223
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196
2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile
CID 102840089

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine (CID 102828241) is 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is BKHUPLKSEQEFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClNS/c1-11(2,3)6-8(14-4)9-5-7(12)10(13)15-9/h5,8,14H,6H2,1-4H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 310.69 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 102828241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).