1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine

C11H17BrN2S — CID 116951565

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-13-9(6-8-4-5-14-7-8)10-2-3-11(12)15-10/h2-3,8-9,13-14H,4-7H2,1H3
InChIKeyNKRSXGRZXWIBSI-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.77
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine

1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 116951565) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID116951565
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-13-9(6-8-4-5-14-7-8)10-2-3-11(12)15-10/h2-3,8-9,13-14H,4-7H2,1H3
InChIKeyNKRSXGRZXWIBSI-UHFFFAOYSA-N
XLogP2.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine
CID 116956778
1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951598
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610
N-methyl-2-piperidin-4-yl-1-thiophen-2-ylethanamine
CID 116951783
1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine (CID 116951565) is 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine is CNC(CC1CCNC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is NKRSXGRZXWIBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-13-9(6-8-4-5-14-7-8)10-2-3-11(12)15-10/h2-3,8-9,13-14H,4-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine?
1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 289.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116951565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).