1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C10H13BrF3NO2 — CID 103207741

IUPAC1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C10H13BrF3NO2/c1-2-15-7(5-16-6-10(12,13)14)8-3-4-9(11)17-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyHLMVDOYAMLMXOG-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.27
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207741) has the molecular formula C10H13BrF3NO2 and a molecular weight of 316.12 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207741
Molecular FormulaC10H13BrF3NO2
Molecular Weight316.12 g/mol
Exact Mass315.01
IUPAC Name1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C10H13BrF3NO2/c1-2-15-7(5-16-6-10(12,13)14)8-3-4-9(11)17-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyHLMVDOYAMLMXOG-UHFFFAOYSA-N
XLogP3.27
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)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

[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863
5-bromo-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide
CID 6468078
3-(Furan-2-yl)morpholine
CID 24271584
(2-Methoxyethyl)[(5-methylfuran-2-yl)methyl]amine
CID 4777616
[(5-Bromofuran-2-yl)methyl](methyl)amine
CID 16787243
Butyl(1-(5-methylfuran-2-yl)ethyl)amine
CID 43178007
N-(1-(furan-2-yl)ethyl)cyclopropanamine hydrochloride
CID 45792190
(R)-1-(5-Bromofuran-2-yl)ethanamine hydrochloride
CID 145708424
(S)-1-(5-Bromofuran-2-yl)ethanamine hydrochloride
CID 145709034
N-[1-(furan-2-yl)ethyl]hexan-1-amine
CID 43182358
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400055

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207741) is 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is HLMVDOYAMLMXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NO2/c1-2-15-7(5-16-6-10(12,13)14)8-3-4-9(11)17-8/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 316.12 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).