2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C14H15Br2NOS — CID 63505783

IUPAC2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOc1c(Br)cccc1Br
InChIInChI=1S/C14H15Br2NOS/c1-10-5-8-19-13(10)9-17-6-7-18-14-11(15)3-2-4-12(14)16/h2-5,8,17H,6-7,9H2,1H3
InChIKeyAOIURXIBMZHVQH-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.75
Rot. Bonds6

About 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 63505783) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID63505783
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOc1c(Br)cccc1Br
InChIInChI=1S/C14H15Br2NOS/c1-10-5-8-19-13(10)9-17-6-7-18-14-11(15)3-2-4-12(14)16/h2-5,8,17H,6-7,9H2,1H3
InChIKeyAOIURXIBMZHVQH-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine 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-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989
2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60664869
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63273329
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63515590
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 55088230
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107668633
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62584380
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 63505783) is 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNCCOc1c(Br)cccc1Br.
What is the InChIKey of 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is AOIURXIBMZHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-10-5-8-19-13(10)9-17-6-7-18-14-11(15)3-2-4-12(14)16/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 405.16 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 63505783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).