2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol

C15H15Br2NO — CID 126128843

IUPAC2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol
SMILESCc1cccc(NCc2cc(Br)cc(Br)c2O)c1C
InChIInChI=1S/C15H15Br2NO/c1-9-4-3-5-14(10(9)2)18-8-11-6-12(16)7-13(17)15(11)19/h3-7,18-19H,8H2,1-2H3
InChIKeyZFFYQGBNDFANJL-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.15
Rot. Bonds3

About 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol

2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol (PubChem CID 126128843) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol
PubChem CID126128843
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol
SMILESCc1cccc(NCc2cc(Br)cc(Br)c2O)c1C
InChIInChI=1S/C15H15Br2NO/c1-9-4-3-5-14(10(9)2)18-8-11-6-12(16)7-13(17)15(11)19/h3-7,18-19H,8H2,1-2H3
InChIKeyZFFYQGBNDFANJL-UHFFFAOYSA-N
XLogP5.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-[(3-chloro-2-methylanilino)methyl]phenol
CID 126119657
N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline
CID 126126469
2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol
CID 126121269
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126125357
2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
2,6-dichloro-4-[(2,3-dimethylanilino)methyl]phenol
CID 126121984
4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
CID 107629630
2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63446574

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol (CID 126128843) is 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol is Cc1cccc(NCc2cc(Br)cc(Br)c2O)c1C.
What is the InChIKey of 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol?
The InChIKey is ZFFYQGBNDFANJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-9-4-3-5-14(10(9)2)18-8-11-6-12(16)7-13(17)15(11)19/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol?
2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol has a molecular weight of 385.10 g/mol, XLogP of 5.15, 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-[(2,3-dimethylanilino)methyl]phenol is sourced from PubChem (CID 126128843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).