2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine

C11H16BrNS — CID 64986632

IUPAC2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1sccc1Br)C1CCC1
InChIInChI=1S/C11H16BrNS/c1-13-10(8-3-2-4-8)7-11-9(12)5-6-14-11/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyMWAASMDKWOKVQJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine

2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine (PubChem CID 64986632) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
PubChem CID64986632
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1sccc1Br)C1CCC1
InChIInChI=1S/C11H16BrNS/c1-13-10(8-3-2-4-8)7-11-9(12)5-6-14-11/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyMWAASMDKWOKVQJ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105139532
2-(3-bromothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 112681190
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65410469
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 65411121
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine
CID 65412289

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine (CID 64986632) is 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine is CNC(Cc1sccc1Br)C1CCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine?
The InChIKey is MWAASMDKWOKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-13-10(8-3-2-4-8)7-11-9(12)5-6-14-11/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine?
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine has a molecular weight of 274.23 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 64986632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).