4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine

C11H18BrNOS — CID 64502836

IUPAC4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-14-9-8-13-7-3-2-4-10-5-6-11(12)15-10/h5-6,13H,2-4,7-9H2,1H3
InChIKeyRMESBEYQIKNSBI-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.07
Rot. Bonds8

About 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine

4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 64502836) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID64502836
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-14-9-8-13-7-3-2-4-10-5-6-11(12)15-10/h5-6,13H,2-4,7-9H2,1H3
InChIKeyRMESBEYQIKNSBI-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

4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 80532664
6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 79992354
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106047173
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306697
5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111296
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine (CID 64502836) is 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is RMESBEYQIKNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-14-9-8-13-7-3-2-4-10-5-6-11(12)15-10/h5-6,13H,2-4,7-9H2,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine 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 4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 64502836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).