3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine

C11H16BrNS — CID 107355526

IUPAC3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2cc(Br)cs2)C1C
InChIInChI=1S/C11H16BrNS/c1-3-13-10-5-9(7(10)2)11-4-8(12)6-14-11/h4,6-7,9-10,13H,3,5H2,1-2H3
InChIKeyCNZYGVRFDRHITE-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.61
Rot. Bonds3

About 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine

3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine (PubChem CID 107355526) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine
PubChem CID107355526
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2cc(Br)cs2)C1C
InChIInChI=1S/C11H16BrNS/c1-3-13-10-5-9(7(10)2)11-4-8(12)6-14-11/h4,6-7,9-10,13H,3,5H2,1-2H3
InChIKeyCNZYGVRFDRHITE-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine
CID 107355522
3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine
CID 107355524
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
CID 81418012
3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
CID 81417795
N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273
trans-(1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96662930
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
3-(4-bromothiophen-2-yl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 107355533
3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388
N-ethyl-3-(9H-fluoren-2-yl)-2-methylcyclobutan-1-amine
CID 81417064
N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine
CID 81417899

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine (CID 107355526) is 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine is CCNC1CC(c2cc(Br)cs2)C1C.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is CNZYGVRFDRHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-3-13-10-5-9(7(10)2)11-4-8(12)6-14-11/h4,6-7,9-10,13H,3,5H2,1-2H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine?
3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 107355526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).