6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine

C14H24BrNOS — CID 79992354

IUPAC6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCNCCCCCCc1cc(C)c(Br)s1
InChIInChI=1S/C14H24BrNOS/c1-12-11-13(18-14(12)15)7-5-3-4-6-8-16-9-10-17-2/h11,16H,3-10H2,1-2H3
InChIKeyYLKAVIFUZDHLFR-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.16
Rot. Bonds10

About 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine

6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 79992354) has the molecular formula C14H24BrNOS and a molecular weight of 334.32 g/mol. Its IUPAC name is 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
PubChem CID79992354
Molecular FormulaC14H24BrNOS
Molecular Weight334.32 g/mol
Exact Mass333.08
IUPAC Name6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCNCCCCCCc1cc(C)c(Br)s1
InChIInChI=1S/C14H24BrNOS/c1-12-11-13(18-14(12)15)7-5-3-4-6-8-16-9-10-17-2/h11,16H,3-10H2,1-2H3
InChIKeyYLKAVIFUZDHLFR-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.16
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-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
4-(5-bromo-4-methylthiophen-2-yl)butan-1-amine
CID 79991817
3-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79992461
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
N-[2-[2-(5-bromo-4-chlorothiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 80532540
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
CID 65305199
4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107726759
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine (CID 79992354) is 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine is COCCNCCCCCCc1cc(C)c(Br)s1.
What is the InChIKey of 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is YLKAVIFUZDHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOS/c1-12-11-13(18-14(12)15)7-5-3-4-6-8-16-9-10-17-2/h11,16H,3-10H2,1-2H3.
What are the key properties of 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine?
6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 334.32 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 79992354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).