[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine

C15H15Br2NO2 — CID 64718432

IUPAC[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOc1ccc(Br)cc1Br
InChIInChI=1S/C15H15Br2NO2/c16-12-5-6-15(13(17)9-12)20-8-7-19-14-4-2-1-3-11(14)10-18/h1-6,9H,7-8,10,18H2
InChIKeyONIWRYNXOSGYQY-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.13
Rot. Bonds6

About [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine

[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine (PubChem CID 64718432) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
PubChem CID64718432
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOc1ccc(Br)cc1Br
InChIInChI=1S/C15H15Br2NO2/c16-12-5-6-15(13(17)9-12)20-8-7-19-14-4-2-1-3-11(14)10-18/h1-6,9H,7-8,10,18H2
InChIKeyONIWRYNXOSGYQY-UHFFFAOYSA-N
XLogP4.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine 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-[2-(3-bromophenyl)sulfanylethoxy]phenyl]methanamine
CID 55119672
2-[(2,4-dibromophenoxy)methyl]aniline
CID 62055358
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
CID 28981744
[5-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62935735
[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22683172
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine
CID 64699066
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate
CID 2244794

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine (CID 64718432) is [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine is NCc1ccccc1OCCOc1ccc(Br)cc1Br.
What is the InChIKey of [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is ONIWRYNXOSGYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c16-12-5-6-15(13(17)9-12)20-8-7-19-14-4-2-1-3-11(14)10-18/h1-6,9H,7-8,10,18H2.
What are the key properties of [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine?
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine has a molecular weight of 401.10 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 64718432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).