2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

C14H24BrNOS — CID 83150572

IUPAC2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCOCCNCC(C)(Cc1ccc(Br)s1)C(C)C
InChIInChI=1S/C14H24BrNOS/c1-11(2)14(3,10-16-7-8-17-4)9-12-5-6-13(15)18-12/h5-6,11,16H,7-10H2,1-4H3
InChIKeyDKUXUNBIXZWDFD-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.95
Rot. Bonds8

About 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (PubChem CID 83150572) has the molecular formula C14H24BrNOS and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
PubChem CID83150572
Molecular FormulaC14H24BrNOS
Molecular Weight334.32 g/mol
Exact Mass333.08
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCOCCNCC(C)(Cc1ccc(Br)s1)C(C)C
InChIInChI=1S/C14H24BrNOS/c1-11(2)14(3,10-16-7-8-17-4)9-12-5-6-13(15)18-12/h5-6,11,16H,7-10H2,1-4H3
InChIKeyDKUXUNBIXZWDFD-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111296
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 83151789
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 104794766
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150871
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
N-(2-methoxyethyl)-2,4,6-trimethyl-2-propan-2-ylheptan-1-amine
CID 114201279
N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
CID 78986456
3-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830959

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (CID 83150572) is 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is COCCNCC(C)(Cc1ccc(Br)s1)C(C)C.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The InChIKey is DKUXUNBIXZWDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOS/c1-11(2)14(3,10-16-7-8-17-4)9-12-5-6-13(15)18-12/h5-6,11,16H,7-10H2,1-4H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine has a molecular weight of 334.32 g/mol, XLogP of 3.95, 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)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83150572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).