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

C11H16BrNS — CID 107355522

IUPAC3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine
SMILESCCC1C(NC)CC1c1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-3-8-9(5-10(8)13-2)11-4-7(12)6-14-11/h4,6,8-10,13H,3,5H2,1-2H3
InChIKeySINZLHZCYHNYIR-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.61
Rot. Bonds3

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

3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine (PubChem CID 107355522) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine
PubChem CID107355522
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine
SMILESCCC1C(NC)CC1c1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-3-8-9(5-10(8)13-2)11-4-7(12)6-14-11/h4,6,8-10,13H,3,5H2,1-2H3
InChIKeySINZLHZCYHNYIR-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-propylcyclobutan-1-amine
CID 107355524
3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine
CID 107355526
2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine
CID 81417135
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
trans-(1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96662930
2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
CID 81417156
3-(4-bromothiophen-2-yl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 107355533
[4-(4-bromothiophen-2-yl)-1-[(E)-pent-2-enyl]pyrrolidin-3-yl]methanol
CID 143198972
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
CID 82972681
3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine
CID 106469214
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine (CID 107355522) is 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine is CCC1C(NC)CC1c1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine?
The InChIKey is SINZLHZCYHNYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-3-8-9(5-10(8)13-2)11-4-7(12)6-14-11/h4,6,8-10,13H,3,5H2,1-2H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine?
3-(4-bromothiophen-2-yl)-2-ethyl-N-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)-2-ethyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 107355522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).