4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine

C12H10BrClN2O — CID 106748354

IUPAC4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
SMILESNc1ccc(Oc2ccc(Br)cc2Cl)cc1N
InChIInChI=1S/C12H10BrClN2O/c13-7-1-4-12(9(14)5-7)17-8-2-3-10(15)11(16)6-8/h1-6H,15-16H2
InChIKeyBYGVCULSJHGHCR-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.06
Rot. Bonds2

About 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine

4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine (PubChem CID 106748354) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
PubChem CID106748354
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
SMILESNc1ccc(Oc2ccc(Br)cc2Cl)cc1N
InChIInChI=1S/C12H10BrClN2O/c13-7-1-4-12(9(14)5-7)17-8-2-3-10(15)11(16)6-8/h1-6H,15-16H2
InChIKeyBYGVCULSJHGHCR-UHFFFAOYSA-N
XLogP4.06
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.06
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-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
2-amino-5-(4-bromo-2-chlorophenoxy)benzonitrile
CID 115499780
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
5-(4-bromo-2-chlorophenoxy)-2-nitroaniline
CID 106751991
4-(2,4,5-trichlorophenoxy)benzene-1,2-diamine
CID 106748304
4-(4-bromo-2-chlorophenoxy)-2-methylbenzenecarbothioamide
CID 81278085
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175
4-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]benzene-1,2-diamine;ethane
CID 143445579

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine (CID 106748354) is 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine is Nc1ccc(Oc2ccc(Br)cc2Cl)cc1N.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine?
The InChIKey is BYGVCULSJHGHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/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-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine?
4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine has a molecular weight of 313.58 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine is sourced from PubChem (CID 106748354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).