1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine

C12H17Br2NOS — CID 80533971

IUPAC1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H17Br2NOS/c1-2-15-10(6-8-4-3-5-16-8)11-7-9(13)12(14)17-11/h7-8,10,15H,2-6H2,1H3
InChIKeyODNWCMBENJVZMR-UHFFFAOYSA-N
MW383.15 g/mol
LogP4.49
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine

1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 80533971) has the molecular formula C12H17Br2NOS and a molecular weight of 383.15 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID80533971
Molecular FormulaC12H17Br2NOS
Molecular Weight383.15 g/mol
Exact Mass380.94
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H17Br2NOS/c1-2-15-10(6-8-4-3-5-16-8)11-7-9(13)12(14)17-11/h7-8,10,15H,2-6H2,1H3
InChIKeyODNWCMBENJVZMR-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
2-[3-chloro-3-(4,5-dibromothiophen-2-yl)propyl]oxolane
CID 80534126
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 106942259
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
N-ethyl-1-(5-ethylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156100
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102827664
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 80533971) is 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is ODNWCMBENJVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NOS/c1-2-15-10(6-8-4-3-5-16-8)11-7-9(13)12(14)17-11/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 383.15 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 80533971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).