2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol

C14H12Br2ClNO — CID 126121269

IUPAC2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol
SMILESCc1ccc(Cl)cc1NCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H12Br2ClNO/c1-8-2-3-11(17)6-13(8)18-7-9-4-10(15)5-12(16)14(9)19/h2-6,18-19H,7H2,1H3
InChIKeyFNUJNWHDXIEWDB-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.49
Rot. Bonds3

About 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol

2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol (PubChem CID 126121269) has the molecular formula C14H12Br2ClNO and a molecular weight of 405.52 g/mol. Its IUPAC name is 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol
PubChem CID126121269
Molecular FormulaC14H12Br2ClNO
Molecular Weight405.52 g/mol
Exact Mass402.90
IUPAC Name2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol
SMILESCc1ccc(Cl)cc1NCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H12Br2ClNO/c1-8-2-3-11(17)6-13(8)18-7-9-4-10(15)5-12(16)14(9)19/h2-6,18-19H,7H2,1H3
InChIKeyFNUJNWHDXIEWDB-UHFFFAOYSA-N
XLogP5.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol 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

2,4-dibromo-6-[(3-chloro-2-methylanilino)methyl]phenol
CID 126119657
2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol
CID 126128843
2-[(5-bromo-2-methylanilino)methyl]-4-chlorophenol
CID 43729647
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126142554
4-[(5-bromo-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952954
3-[(2-bromo-5-chlorophenyl)methylamino]-4-methylbenzonitrile
CID 66160570
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol (CID 126121269) is 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol is Cc1ccc(Cl)cc1NCc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol?
The InChIKey is FNUJNWHDXIEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO/c1-8-2-3-11(17)6-13(8)18-7-9-4-10(15)5-12(16)14(9)19/h2-6,18-19H,7H2,1H3.
What are the key properties of 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol?
2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol has a molecular weight of 405.52 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol is sourced from PubChem (CID 126121269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).