4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol

C13H9BrCl3NO — CID 107678962

IUPAC4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
SMILESOc1c(Cl)cc(NCc2ccc(Br)cc2Cl)cc1Cl
InChIInChI=1S/C13H9BrCl3NO/c14-8-2-1-7(10(15)3-8)6-18-9-4-11(16)13(19)12(17)5-9/h1-5,18-19H,6H2
InChIKeyZRXVNQAVRRNMSY-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.73
Rot. Bonds3

About 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol

4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol (PubChem CID 107678962) has the molecular formula C13H9BrCl3NO and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol.

Molecular Properties

Compound Name4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
PubChem CID107678962
Molecular FormulaC13H9BrCl3NO
Molecular Weight381.48 g/mol
Exact Mass378.89
IUPAC Name4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
SMILESOc1c(Cl)cc(NCc2ccc(Br)cc2Cl)cc1Cl
InChIInChI=1S/C13H9BrCl3NO/c14-8-2-1-7(10(15)3-8)6-18-9-4-11(16)13(19)12(17)5-9/h1-5,18-19H,6H2
InChIKeyZRXVNQAVRRNMSY-UHFFFAOYSA-N
XLogP5.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol 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-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
CID 113470945
2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
CID 75355507
4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
CID 107678911
[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 115744065
N-[(4-bromo-2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115652567
2-[4-[(4-bromo-2-chlorophenyl)methylamino]phenoxy]acetonitrile
CID 115653992
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
4-bromo-3-chloro-N-[(2-chloro-4-methylphenyl)methyl]aniline
CID 107619896
N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 104624412
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol?
The IUPAC name of 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol (CID 107678962) is 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol.
What is the SMILES notation for 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol?
The canonical SMILES for 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol is Oc1c(Cl)cc(NCc2ccc(Br)cc2Cl)cc1Cl.
What is the InChIKey of 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol?
The InChIKey is ZRXVNQAVRRNMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3NO/c14-8-2-1-7(10(15)3-8)6-18-9-4-11(16)13(19)12(17)5-9/h1-5,18-19H,6H2.
What are the key properties of 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol?
4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol has a molecular weight of 381.48 g/mol, XLogP of 5.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol is sourced from PubChem (CID 107678962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).