1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine

C11H16BrNS — CID 103163188

IUPAC1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
SMILESCc1sc(Br)cc1C(N)CC1CCC1
InChIInChI=1S/C11H16BrNS/c1-7-9(6-11(12)14-7)10(13)5-8-3-2-4-8/h6,8,10H,2-5,13H2,1H3
InChIKeyCTWZUPQAYMOMQR-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.01
Rot. Bonds3

About 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine

1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine (PubChem CID 103163188) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
PubChem CID103163188
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
SMILESCc1sc(Br)cc1C(N)CC1CCC1
InChIInChI=1S/C11H16BrNS/c1-7-9(6-11(12)14-7)10(13)5-8-3-2-4-8/h6,8,10H,2-5,13H2,1H3
InChIKeyCTWZUPQAYMOMQR-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene
CID 103165928
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163193
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
CID 105151667
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine
CID 81155881
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine?
The IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine (CID 103163188) is 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine is Cc1sc(Br)cc1C(N)CC1CCC1.
What is the InChIKey of 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine?
The InChIKey is CTWZUPQAYMOMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-7-9(6-11(12)14-7)10(13)5-8-3-2-4-8/h6,8,10H,2-5,13H2,1H3.
What are the key properties of 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine?
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine has a molecular weight of 274.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine is sourced from PubChem (CID 103163188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).