2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

C13H21BrN2S — CID 115209420

IUPAC2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCN(CCc1ccc(Br)s1)CC1CCCCN1
InChIInChI=1S/C13H21BrN2S/c1-16(10-11-4-2-3-8-15-11)9-7-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyFRAMQXSQWWOJJK-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.13
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 115209420) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID115209420
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCN(CCc1ccc(Br)s1)CC1CCCCN1
InChIInChI=1S/C13H21BrN2S/c1-16(10-11-4-2-3-8-15-11)9-7-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyFRAMQXSQWWOJJK-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-methyl-N-(piperidin-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 106635742
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
CID 62335092

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (CID 115209420) is 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is CN(CCc1ccc(Br)s1)CC1CCCCN1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is FRAMQXSQWWOJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-16(10-11-4-2-3-8-15-11)9-7-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 317.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115209420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).