5-amino-2-bromo-3,6-dimethylphenol

C8H10BrNO — CID 84784556

IUPAC5-amino-2-bromo-3,6-dimethylphenol
SMILESCc1cc(N)c(C)c(O)c1Br
InChIInChI=1S/C8H10BrNO/c1-4-3-6(10)5(2)8(11)7(4)9/h3,11H,10H2,1-2H3
InChIKeyQSMYVVHRTCFZPS-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.35
Rot. Bonds

About 5-amino-2-bromo-3,6-dimethylphenol

5-amino-2-bromo-3,6-dimethylphenol (PubChem CID 84784556) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-amino-2-bromo-3,6-dimethylphenol.

Molecular Properties

Compound Name5-amino-2-bromo-3,6-dimethylphenol
PubChem CID84784556
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name5-amino-2-bromo-3,6-dimethylphenol
SMILESCc1cc(N)c(C)c(O)c1Br
InChIInChI=1S/C8H10BrNO/c1-4-3-6(10)5(2)8(11)7(4)9/h3,11H,10H2,1-2H3
InChIKeyQSMYVVHRTCFZPS-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-bromo-4-methylphenol hydrochloride
CID 155971056
3-Amino-2,5-dimethylphenol
CID 22236615
5-Amino-2-bromo-4-methylphenol
CID 84776642
5-Amino-2-bromo-4-fluoro-3-(trifluoromethyl)phenol
CID 151467848
5-Amino-2-fluoro-3,6-dimethylphenol
CID 84763579
5-Amino-2-bromo-3-(trifluoromethyl)phenol
CID 118800095
3-Amino-6-bromo-2-(trifluoromethyl)phenol
CID 118816851
3-Amino-2-methyl-5-propylphenol
CID 17805832
4-Amino-2-bromo-3,6-dimethylphenol
CID 19841458
4-Amino-2-bromo-6-isopropyl-3-methylphenol
CID 51983650
3-Amino-5-ethyl-2-methylphenol
CID 69589169
2-Bromo-3-methyl-5-(methylamino)phenol
CID 117745966

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-3,6-dimethylphenol?
The IUPAC name of 5-amino-2-bromo-3,6-dimethylphenol (CID 84784556) is 5-amino-2-bromo-3,6-dimethylphenol.
What is the SMILES notation for 5-amino-2-bromo-3,6-dimethylphenol?
The canonical SMILES for 5-amino-2-bromo-3,6-dimethylphenol is Cc1cc(N)c(C)c(O)c1Br.
What is the InChIKey of 5-amino-2-bromo-3,6-dimethylphenol?
The InChIKey is QSMYVVHRTCFZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-4-3-6(10)5(2)8(11)7(4)9/h3,11H,10H2,1-2H3.
What are the key properties of 5-amino-2-bromo-3,6-dimethylphenol?
5-amino-2-bromo-3,6-dimethylphenol has a molecular weight of 216.08 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-3,6-dimethylphenol is sourced from PubChem (CID 84784556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).