1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride

C12H20BrClN2S — CID 120855842

IUPAC1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC1c1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2S.ClH/c1-12(2,14)8-15-7-3-4-9(15)10-5-6-11(13)16-10;/h5-6,9H,3-4,7-8,14H2,1-2H3;1H
InChIKeyNRQQTRLQNCMJCW-UHFFFAOYSA-N
MW339.73 g/mol
LogP3.81
Rot. Bonds3

About 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120855842) has the molecular formula C12H20BrClN2S and a molecular weight of 339.73 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120855842
Molecular FormulaC12H20BrClN2S
Molecular Weight339.73 g/mol
Exact Mass338.02
IUPAC Name1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC1c1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2S.ClH/c1-12(2,14)8-15-7-3-4-9(15)10-5-6-11(13)16-10;/h5-6,9H,3-4,7-8,14H2,1-2H3;1H
InChIKeyNRQQTRLQNCMJCW-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine
CID 83665520
5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905085
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120848150
1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120852117
(2S)-2-(5-bromothiophen-2-yl)-1-methylsulfonylpyrrolidine
CID 124885695
2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120848647
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120857828
5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79509949
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224
2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride
CID 118432686
1-[(2-methylpropan-2-yl)oxy]-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 111336722
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120855842) is 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCCC1c1ccc(Br)s1.Cl.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is NRQQTRLQNCMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S.ClH/c1-12(2,14)8-15-7-3-4-9(15)10-5-6-11(13)16-10;/h5-6,9H,3-4,7-8,14H2,1-2H3;1H.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 339.73 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120855842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).