1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine

C11H17BrClNS — CID 80531358

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cc(Cl)c(Br)s1)C(C)(C)C
InChIInChI=1S/C11H17BrClNS/c1-5-14-9(11(2,3)4)8-6-7(13)10(12)15-8/h6,9,14H,5H2,1-4H3
InChIKeyLGLFUEGGICAAOE-UHFFFAOYSA-N
MW310.69 g/mol
LogP4.86
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine

1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 80531358) has the molecular formula C11H17BrClNS and a molecular weight of 310.69 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID80531358
Molecular FormulaC11H17BrClNS
Molecular Weight310.69 g/mol
Exact Mass309.00
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cc(Cl)c(Br)s1)C(C)(C)C
InChIInChI=1S/C11H17BrClNS/c1-5-14-9(11(2,3)4)8-6-7(13)10(12)15-8/h6,9,14H,5H2,1-4H3
InChIKeyLGLFUEGGICAAOE-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-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 80534026
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 80530944
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 80531359
N-[1-benzothiophen-2-yl-(5-bromo-4-chlorothiophen-2-yl)methyl]ethanamine
CID 80531171
1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 80530911
1-(5-bromo-4-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-ol
CID 80532259
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107982085
1-(5-bromo-4-chlorothiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 80530973
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-6-fluorophenyl)methyl]ethanamine
CID 114559092
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 80531167
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 80531226

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 80531358) is 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1cc(Cl)c(Br)s1)C(C)(C)C.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is LGLFUEGGICAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClNS/c1-5-14-9(11(2,3)4)8-6-7(13)10(12)15-8/h6,9,14H,5H2,1-4H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-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-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 80531358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).