1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine

C11H12BrNOS — CID 115709548

IUPAC1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1occc1Br
InChIInChI=1S/C11H12BrNOS/c1-8(11-10(12)2-4-14-11)13-6-9-3-5-15-7-9/h2-5,7-8,13H,6H2,1H3
InChIKeyWQNLARWQTWURBR-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.95
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine

1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 115709548) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID115709548
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1occc1Br
InChIInChI=1S/C11H12BrNOS/c1-8(11-10(12)2-4-14-11)13-6-9-3-5-15-7-9/h2-5,7-8,13H,6H2,1H3
InChIKeyWQNLARWQTWURBR-UHFFFAOYSA-N
XLogP3.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 115705879
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 63247743

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 115709548) is 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine is CC(NCc1ccsc1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is WQNLARWQTWURBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-8(11-10(12)2-4-14-11)13-6-9-3-5-15-7-9/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 286.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 115709548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).