1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine

C10H15Br2NOS — CID 107969328

IUPAC1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc(Br)sc1Br
InChIInChI=1S/C10H15Br2NOS/c1-13-8(4-3-5-14-2)7-6-9(11)15-10(7)12/h6,8,13H,3-5H2,1-2H3
InChIKeyIBHILKCKXMQQCV-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.96
Rot. Bonds6

About 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine

1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 107969328) has the molecular formula C10H15Br2NOS and a molecular weight of 357.11 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine
PubChem CID107969328
Molecular FormulaC10H15Br2NOS
Molecular Weight357.11 g/mol
Exact Mass354.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc(Br)sc1Br
InChIInChI=1S/C10H15Br2NOS/c1-13-8(4-3-5-14-2)7-6-9(11)15-10(7)12/h6,8,13H,3-5H2,1-2H3
InChIKeyIBHILKCKXMQQCV-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-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

[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine
CID 107970665
1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
1-(2,5-dibromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 114022243
1-(4-bromo-2-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105054811
1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
CID 43486942
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-N-methylbutan-1-amine
CID 112688296
1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
1-(3-bromo-2-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055045
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107968131
1-(4-bromo-3-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055012

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine (CID 107969328) is 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is IBHILKCKXMQQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NOS/c1-13-8(4-3-5-14-2)7-6-9(11)15-10(7)12/h6,8,13H,3-5H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine?
1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 357.11 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 107969328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).