1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine

C12H19BrN2S — CID 83072733

IUPAC1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine
SMILESCCC1(CNCc2sccc2Br)CCCN1
InChIInChI=1S/C12H19BrN2S/c1-2-12(5-3-6-15-12)9-14-8-11-10(13)4-7-16-11/h4,7,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyDQQSITDGAUOARJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.13
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine

1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine (PubChem CID 83072733) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine
PubChem CID83072733
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine
SMILESCCC1(CNCc2sccc2Br)CCCN1
InChIInChI=1S/C12H19BrN2S/c1-2-12(5-3-6-15-12)9-14-8-11-10(13)4-7-16-11/h4,7,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyDQQSITDGAUOARJ-UHFFFAOYSA-N
XLogP3.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine
CID 106976495
2-[(3-bromothiophen-2-yl)methyl]-2-tert-butylpyrrolidine
CID 66466751
2-[1-(aminomethyl)cyclobutyl]-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81171043
4-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]aniline
CID 112558192
2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580567
N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 83073874
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107423728
N-[(3-bromothiophen-2-yl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223869
2-ethyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467603
tert-butyl N-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104756818
3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine (CID 83072733) is 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine is CCC1(CNCc2sccc2Br)CCCN1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine?
The InChIKey is DQQSITDGAUOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-12(5-3-6-15-12)9-14-8-11-10(13)4-7-16-11/h4,7,14-15H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine?
1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine has a molecular weight of 303.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine is sourced from PubChem (CID 83072733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).