4-(2,4-dibromophenoxy)benzene-1,2-diamine

C12H10Br2N2O — CID 106748492

IUPAC4-(2,4-dibromophenoxy)benzene-1,2-diamine
SMILESNc1ccc(Oc2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C12H10Br2N2O/c13-7-1-4-12(9(14)5-7)17-8-2-3-10(15)11(16)6-8/h1-6H,15-16H2
InChIKeyBDEMNLGESHDPQR-UHFFFAOYSA-N
MW358.03 g/mol
LogP4.17
Rot. Bonds2

About 4-(2,4-dibromophenoxy)benzene-1,2-diamine

4-(2,4-dibromophenoxy)benzene-1,2-diamine (PubChem CID 106748492) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 4-(2,4-dibromophenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2,4-dibromophenoxy)benzene-1,2-diamine
PubChem CID106748492
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name4-(2,4-dibromophenoxy)benzene-1,2-diamine
SMILESNc1ccc(Oc2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C12H10Br2N2O/c13-7-1-4-12(9(14)5-7)17-8-2-3-10(15)11(16)6-8/h1-6H,15-16H2
InChIKeyBDEMNLGESHDPQR-UHFFFAOYSA-N
XLogP4.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
CID 106748354
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
2-bromo-5-(2,4-dibromophenoxy)phenol
CID 11015373
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
CID 64719767
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenoxy)benzene-1,2-diamine?
The IUPAC name of 4-(2,4-dibromophenoxy)benzene-1,2-diamine (CID 106748492) is 4-(2,4-dibromophenoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-(2,4-dibromophenoxy)benzene-1,2-diamine?
The canonical SMILES for 4-(2,4-dibromophenoxy)benzene-1,2-diamine is Nc1ccc(Oc2ccc(Br)cc2Br)cc1N.
What is the InChIKey of 4-(2,4-dibromophenoxy)benzene-1,2-diamine?
The InChIKey is BDEMNLGESHDPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-7-1-4-12(9(14)5-7)17-8-2-3-10(15)11(16)6-8/h1-6H,15-16H2.
What are the key properties of 4-(2,4-dibromophenoxy)benzene-1,2-diamine?
4-(2,4-dibromophenoxy)benzene-1,2-diamine has a molecular weight of 358.03 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenoxy)benzene-1,2-diamine is sourced from PubChem (CID 106748492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).