1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine

C10H14BrNS — CID 105151667

IUPAC1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)c1csc(Br)c1
InChIInChI=1S/C10H14BrNS/c11-10-5-8(6-13-10)9(12)4-7-2-1-3-7/h5-7,9H,1-4,12H2
InChIKeyBWVPFKUYHXEOQD-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.70
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine

1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine (PubChem CID 105151667) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
PubChem CID105151667
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)c1csc(Br)c1
InChIInChI=1S/C10H14BrNS/c11-10-5-8(6-13-10)9(12)4-7-2-1-3-7/h5-7,9H,1-4,12H2
InChIKeyBWVPFKUYHXEOQD-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
CID 105138713
1-(5-bromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanamine
CID 114225848
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
2-cyclopropyl-1-(5-methylthiophen-3-yl)ethanamine
CID 55294440
(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035
(5-bromothiophen-3-yl)-cyclohexylmethanamine
CID 105079738
1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
CID 105104394
1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105168152
[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
CID 105330730

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine (CID 105151667) is 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine is NC(CC1CCC1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine?
The InChIKey is BWVPFKUYHXEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c11-10-5-8(6-13-10)9(12)4-7-2-1-3-7/h5-7,9H,1-4,12H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine?
1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine is sourced from PubChem (CID 105151667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).