5-bromo-2-(3-bromophenoxy)aniline

C12H9Br2NO — CID 29030936

IUPAC5-bromo-2-(3-bromophenoxy)aniline
SMILESNc1cc(Br)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C12H9Br2NO/c13-8-2-1-3-10(6-8)16-12-5-4-9(14)7-11(12)15/h1-7H,15H2
InChIKeyPFXMITWURWMGSZ-UHFFFAOYSA-N
MW343.02 g/mol
LogP4.59
Rot. Bonds2

About 5-bromo-2-(3-bromophenoxy)aniline

5-bromo-2-(3-bromophenoxy)aniline (PubChem CID 29030936) has the molecular formula C12H9Br2NO and a molecular weight of 343.02 g/mol. Its IUPAC name is 5-bromo-2-(3-bromophenoxy)aniline.

Molecular Properties

Compound Name5-bromo-2-(3-bromophenoxy)aniline
PubChem CID29030936
Molecular FormulaC12H9Br2NO
Molecular Weight343.02 g/mol
Exact Mass340.91
IUPAC Name5-bromo-2-(3-bromophenoxy)aniline
SMILESNc1cc(Br)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C12H9Br2NO/c13-8-2-1-3-10(6-8)16-12-5-4-9(14)7-11(12)15/h1-7H,15H2
InChIKeyPFXMITWURWMGSZ-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(3-bromophenoxy)aniline 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

5-bromo-2-pyridin-3-yloxyaniline
CID 26190498
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
5-bromo-2-(2,3-dimethylphenoxy)aniline
CID 26190424
2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
CID 3368163
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
4-(3-bromophenoxy)quinolin-8-amine
CID 83060320
5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromophenoxy)aniline?
The IUPAC name of 5-bromo-2-(3-bromophenoxy)aniline (CID 29030936) is 5-bromo-2-(3-bromophenoxy)aniline.
What is the SMILES notation for 5-bromo-2-(3-bromophenoxy)aniline?
The canonical SMILES for 5-bromo-2-(3-bromophenoxy)aniline is Nc1cc(Br)ccc1Oc1cccc(Br)c1.
What is the InChIKey of 5-bromo-2-(3-bromophenoxy)aniline?
The InChIKey is PFXMITWURWMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO/c13-8-2-1-3-10(6-8)16-12-5-4-9(14)7-11(12)15/h1-7H,15H2.
What are the key properties of 5-bromo-2-(3-bromophenoxy)aniline?
5-bromo-2-(3-bromophenoxy)aniline has a molecular weight of 343.02 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromophenoxy)aniline is sourced from PubChem (CID 29030936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).