2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine

C15H24BrNOS — CID 116762214

IUPAC2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)C1(OCC)CCCC1
InChIInChI=1S/C15H24BrNOS/c1-3-17-14(11-13-12(16)7-10-19-13)15(18-4-2)8-5-6-9-15/h7,10,14,17H,3-6,8-9,11H2,1-2H3
InChIKeyYROSCHUWKFEGDB-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.38
Rot. Bonds7

About 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine

2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine (PubChem CID 116762214) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
PubChem CID116762214
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)C1(OCC)CCCC1
InChIInChI=1S/C15H24BrNOS/c1-3-17-14(11-13-12(16)7-10-19-13)15(18-4-2)8-5-6-9-15/h7,10,14,17H,3-6,8-9,11H2,1-2H3
InChIKeyYROSCHUWKFEGDB-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine 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

1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276919
2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
CID 63417620
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
[2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277367
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
1-(1-ethoxycyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116764166
2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116768615
2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762133
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine (CID 116762214) is 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine is CCNC(Cc1sccc1Br)C1(OCC)CCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
The InChIKey is YROSCHUWKFEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-3-17-14(11-13-12(16)7-10-19-13)15(18-4-2)8-5-6-9-15/h7,10,14,17H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine has a molecular weight of 346.33 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine is sourced from PubChem (CID 116762214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).