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

C12H19BrN2S — CID 115210815

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCN(CCC1CCNC1)Cc1ccc(Br)s1
InChIInChI=1S/C12H19BrN2S/c1-15(7-5-10-4-6-14-8-10)9-11-2-3-12(13)16-11/h2-3,10,14H,4-9H2,1H3
InChIKeyBIEYCJJBIMTAQI-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.94
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 115210815) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID115210815
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCN(CCC1CCNC1)Cc1ccc(Br)s1
InChIInChI=1S/C12H19BrN2S/c1-15(7-5-10-4-6-14-8-10)9-11-2-3-12(13)16-11/h2-3,10,14H,4-9H2,1H3
InChIKeyBIEYCJJBIMTAQI-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210838
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
2-[(5-bromothiophen-2-yl)methyl-(piperidin-3-ylmethyl)amino]ethanol
CID 120851982
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
1-(5-bromothiophen-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562155
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 117045174
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine (CID 115210815) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine is CN(CCC1CCNC1)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is BIEYCJJBIMTAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-15(7-5-10-4-6-14-8-10)9-11-2-3-12(13)16-11/h2-3,10,14H,4-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 303.27 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 115210815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).