[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

C10H16BrClN2S — CID 119927224

IUPAC[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2S.ClH/c11-10-4-3-9(14-10)7-13-5-1-2-8(13)6-12;/h3-4,8H,1-2,5-7,12H2;1H
InChIKeyOLASIGOCGPCLFB-UHFFFAOYSA-N
MW311.68 g/mol
LogP2.86
Rot. Bonds3

About [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119927224) has the molecular formula C10H16BrClN2S and a molecular weight of 311.68 g/mol. Its IUPAC name is [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119927224
Molecular FormulaC10H16BrClN2S
Molecular Weight311.68 g/mol
Exact Mass309.99
IUPAC Name[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2S.ClH/c11-10-4-3-9(14-10)7-13-5-1-2-8(13)6-12;/h3-4,8H,1-2,5-7,12H2;1H
InChIKeyOLASIGOCGPCLFB-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 104869772
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119634670
1-[(5-bromothiophen-2-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678151
1-[(5-bromothiophen-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273179
[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
CID 102841560
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 119927224) is [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1Cc1ccc(Br)s1.
What is the InChIKey of [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is OLASIGOCGPCLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S.ClH/c11-10-4-3-9(14-10)7-13-5-1-2-8(13)6-12;/h3-4,8H,1-2,5-7,12H2;1H.
What are the key properties of [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 311.68 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119927224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).