1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C12H19BrN2S — CID 107355080

IUPAC1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1cc(Br)cs1)N(C)CC1CCCN1
InChIInChI=1S/C12H19BrN2S/c1-9(12-6-10(13)8-16-12)15(2)7-11-4-3-5-14-11/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyFSLZOXYQNTVKLO-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 107355080) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID107355080
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1cc(Br)cs1)N(C)CC1CCCN1
InChIInChI=1S/C12H19BrN2S/c1-9(12-6-10(13)8-16-12)15(2)7-11-4-3-5-14-11/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyFSLZOXYQNTVKLO-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 107355089
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 107355080) is 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CC(c1cc(Br)cs1)N(C)CC1CCCN1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is FSLZOXYQNTVKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-9(12-6-10(13)8-16-12)15(2)7-11-4-3-5-14-11/h6,8-9,11,14H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 107355080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).