2-[(2,4,6-tribromoanilino)methyl]phenol

C13H10Br3NO — CID 28991854

IUPAC2-[(2,4,6-tribromoanilino)methyl]phenol
SMILESOc1ccccc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H10Br3NO/c14-9-5-10(15)13(11(16)6-9)17-7-8-3-1-2-4-12(8)18/h1-6,17-18H,7H2
InChIKeySYWDAYJVWPFGFM-UHFFFAOYSA-N
MW435.94 g/mol
LogP5.29
Rot. Bonds3

About 2-[(2,4,6-tribromoanilino)methyl]phenol

2-[(2,4,6-tribromoanilino)methyl]phenol (PubChem CID 28991854) has the molecular formula C13H10Br3NO and a molecular weight of 435.94 g/mol. Its IUPAC name is 2-[(2,4,6-tribromoanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(2,4,6-tribromoanilino)methyl]phenol
PubChem CID28991854
Molecular FormulaC13H10Br3NO
Molecular Weight435.94 g/mol
Exact Mass432.83
IUPAC Name2-[(2,4,6-tribromoanilino)methyl]phenol
SMILESOc1ccccc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H10Br3NO/c14-9-5-10(15)13(11(16)6-9)17-7-8-3-1-2-4-12(8)18/h1-6,17-18H,7H2
InChIKeySYWDAYJVWPFGFM-UHFFFAOYSA-N
XLogP5.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2,4,6-tribromoanilino)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-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
2-[(2,4,6-tribromoanilino)methyl]benzamide
CID 28992052
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
N-(2-amino-4,6-dibromophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80743929
4-[(2,6-dibromo-4-methylanilino)methyl]benzene-1,3-diol
CID 28984202
2-[(2-bromoanilino)methyl]phenol;hydrochloride
CID 126460187
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
CID 28991921
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114841513
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-tribromoanilino)methyl]phenol?
The IUPAC name of 2-[(2,4,6-tribromoanilino)methyl]phenol (CID 28991854) is 2-[(2,4,6-tribromoanilino)methyl]phenol.
What is the SMILES notation for 2-[(2,4,6-tribromoanilino)methyl]phenol?
The canonical SMILES for 2-[(2,4,6-tribromoanilino)methyl]phenol is Oc1ccccc1CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-[(2,4,6-tribromoanilino)methyl]phenol?
The InChIKey is SYWDAYJVWPFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO/c14-9-5-10(15)13(11(16)6-9)17-7-8-3-1-2-4-12(8)18/h1-6,17-18H,7H2.
What are the key properties of 2-[(2,4,6-tribromoanilino)methyl]phenol?
2-[(2,4,6-tribromoanilino)methyl]phenol has a molecular weight of 435.94 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-tribromoanilino)methyl]phenol is sourced from PubChem (CID 28991854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).