2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine

C12H18BrNOS — CID 65328636

IUPAC2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)C1CCCO1
InChIInChI=1S/C12H18BrNOS/c1-2-14-10(11-4-3-7-15-11)8-9-5-6-12(13)16-9/h5-6,10-11,14H,2-4,7-8H2,1H3
InChIKeyYHRLPDAUSOMYPH-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.21
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine

2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine (PubChem CID 65328636) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
PubChem CID65328636
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)C1CCCO1
InChIInChI=1S/C12H18BrNOS/c1-2-14-10(11-4-3-7-15-11)8-9-5-6-12(13)16-9/h5-6,10-11,14H,2-4,7-8H2,1H3
InChIKeyYHRLPDAUSOMYPH-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79657714
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658778
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine (CID 65328636) is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine is CCNC(Cc1ccc(Br)s1)C1CCCO1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The InChIKey is YHRLPDAUSOMYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-2-14-10(11-4-3-7-15-11)8-9-5-6-12(13)16-9/h5-6,10-11,14H,2-4,7-8H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine has a molecular weight of 304.25 g/mol, XLogP of 3.21, 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-ethyl-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65328636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).