2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine

C11H17BrN2OS — CID 103530959

IUPAC2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CCN(C(CN)c2ccc(Br)s2)C1
InChIInChI=1S/C11H17BrN2OS/c1-15-8-4-5-14(7-8)9(6-13)10-2-3-11(12)16-10/h2-3,8-9H,4-7,13H2,1H3
InChIKeySPQZYVYBMCSCFO-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.23
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (PubChem CID 103530959) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
PubChem CID103530959
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CCN(C(CN)c2ccc(Br)s2)C1
InChIInChI=1S/C11H17BrN2OS/c1-15-8-4-5-14(7-8)9(6-13)10-2-3-11(12)16-10/h2-3,8-9H,4-7,13H2,1H3
InChIKeySPQZYVYBMCSCFO-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985530
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
2-(5-bromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603804
2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 61215775
2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562446
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964934
2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 103531517
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965074
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (CID 103530959) is 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is COC1CCN(C(CN)c2ccc(Br)s2)C1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The InChIKey is SPQZYVYBMCSCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-15-8-4-5-14(7-8)9(6-13)10-2-3-11(12)16-10/h2-3,8-9H,4-7,13H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine has a molecular weight of 305.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 103530959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).