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

C11H17BrClNOS — CID 80532664

IUPAC4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNOS/c1-15-7-6-14-5-3-2-4-9-8-10(13)11(12)16-9/h8,14H,2-7H2,1H3
InChIKeyVBSOACOYLWZSHM-UHFFFAOYSA-N
MW326.69 g/mol
LogP3.72
Rot. Bonds8

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

4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 80532664) has the molecular formula C11H17BrClNOS and a molecular weight of 326.69 g/mol. Its IUPAC name is 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID80532664
Molecular FormulaC11H17BrClNOS
Molecular Weight326.69 g/mol
Exact Mass324.99
IUPAC Name4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNOS/c1-15-7-6-14-5-3-2-4-9-8-10(13)11(12)16-9/h8,14H,2-7H2,1H3
InChIKeyVBSOACOYLWZSHM-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.69
LogP ≤ 53.72
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-[2-(5-bromo-4-chlorothiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 80532540
6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 79992354
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclopentyl]-N-(2-methoxyethyl)ethanamine
CID 80533633
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65305744
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine (CID 80532664) is 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCc1cc(Cl)c(Br)s1.
What is the InChIKey of 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is VBSOACOYLWZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClNOS/c1-15-7-6-14-5-3-2-4-9-8-10(13)11(12)16-9/h8,14H,2-7H2,1H3.
What are the key properties of 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine?
4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 326.69 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 80532664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).