N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C11H17BrN2S — CID 62639959

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESBrc1ccsc1CNCCN1CCCC1
InChIInChI=1S/C11H17BrN2S/c12-10-3-8-15-11(10)9-13-4-7-14-5-1-2-6-14/h3,8,13H,1-2,4-7,9H2
InChIKeyQOUZIHJDWDRYAU-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.70
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 62639959) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID62639959
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESBrc1ccsc1CNCCN1CCCC1
InChIInChI=1S/C11H17BrN2S/c12-10-3-8-15-11(10)9-13-4-7-14-5-1-2-6-14/h3,8,13H,1-2,4-7,9H2
InChIKeyQOUZIHJDWDRYAU-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207619
N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 113411481
N-[(3-bromothiophen-2-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 115379843
2-[1-(aminomethyl)cyclobutyl]-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81171043
2-[(3-bromothiophen-2-yl)methylamino]ethanesulfonamide
CID 115379860
N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 63153946
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 102830924
N-[(3-bromothiophen-2-yl)methyl]azepane-1-sulfonamide
CID 78983748
N-[(3-methylthiophen-2-yl)methyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575243
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 62639959) is N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is Brc1ccsc1CNCCN1CCCC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is QOUZIHJDWDRYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c12-10-3-8-15-11(10)9-13-4-7-14-5-1-2-6-14/h3,8,13H,1-2,4-7,9H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 289.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 62639959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).