2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine

C11H18BrNOS — CID 106047173

IUPAC2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
SMILESCCCOCCNCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-2-8-14-9-7-13-6-5-10-3-4-11(12)15-10/h3-4,13H,2,5-9H2,1H3
InChIKeyKKOQLZHOZIZFMO-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.07
Rot. Bonds8

About 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine

2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine (PubChem CID 106047173) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
PubChem CID106047173
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
SMILESCCCOCCNCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-2-8-14-9-7-13-6-5-10-3-4-11(12)15-10/h3-4,13H,2,5-9H2,1H3
InChIKeyKKOQLZHOZIZFMO-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 106047006
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
butyl 2-[2-(5-bromothiophen-2-yl)ethylamino]acetate
CID 106037206
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795
ethyl 3-[2-(5-bromothiophen-2-yl)ethylamino]-2-methylpropanoate
CID 106037128
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
1-(5-bromothiophen-2-yl)-4-propoxybutan-2-one
CID 105088827

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine (CID 106047173) is 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine is CCCOCCNCCc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine?
The InChIKey is KKOQLZHOZIZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-2-8-14-9-7-13-6-5-10-3-4-11(12)15-10/h3-4,13H,2,5-9H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine?
2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine has a molecular weight of 292.24 g/mol, XLogP of 3.07, 8 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-(2-propoxyethyl)ethanamine is sourced from PubChem (CID 106047173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).