1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine

C12H18BrNS — CID 115849121

IUPAC1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
SMILESCNC(Cc1sccc1Br)C(C)C1CC1
InChIInChI=1S/C12H18BrNS/c1-8(9-3-4-9)11(14-2)7-12-10(13)5-6-15-12/h5-6,8-9,11,14H,3-4,7H2,1-2H3
InChIKeyWZFLRMPDYCKKKM-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.69
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine

1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine (PubChem CID 115849121) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
PubChem CID115849121
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
SMILESCNC(Cc1sccc1Br)C(C)C1CC1
InChIInChI=1S/C12H18BrNS/c1-8(9-3-4-9)11(14-2)7-12-10(13)5-6-15-12/h5-6,8-9,11,14H,3-4,7H2,1-2H3
InChIKeyWZFLRMPDYCKKKM-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
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)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine (CID 115849121) is 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine is CNC(Cc1sccc1Br)C(C)C1CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine?
The InChIKey is WZFLRMPDYCKKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-8(9-3-4-9)11(14-2)7-12-10(13)5-6-15-12/h5-6,8-9,11,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine?
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine has a molecular weight of 288.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine is sourced from PubChem (CID 115849121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).