2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol

C8H9BrFNO — CID 84697319

IUPAC2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Br)c(O)c1CN
InChIInChI=1S/C8H9BrFNO/c1-4-5(3-11)8(12)6(9)2-7(4)10/h2,12H,3,11H2,1H3
InChIKeyULZIRWLFYSVLPH-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.06
Rot. Bonds1

About 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol

2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol (PubChem CID 84697319) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
PubChem CID84697319
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Br)c(O)c1CN
InChIInChI=1S/C8H9BrFNO/c1-4-5(3-11)8(12)6(9)2-7(4)10/h2,12H,3,11H2,1H3
InChIKeyULZIRWLFYSVLPH-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.06
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

6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
3-(aminomethyl)-4,5-dimethylbenzene-1,2-diol
CID 19419374
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
CID 84774420
N-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 84806968
ethyl 2-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117492075
2-ethyl-4,6-difluoro-3-methylphenol
CID 134178031
3-(4-aminobutyl)-4-bromo-6-fluorobenzene-1,2-diol
CID 117445578

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol?
The IUPAC name of 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol (CID 84697319) is 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol?
The canonical SMILES for 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol is Cc1c(F)cc(Br)c(O)c1CN.
What is the InChIKey of 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol?
The InChIKey is ULZIRWLFYSVLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-4-5(3-11)8(12)6(9)2-7(4)10/h2,12H,3,11H2,1H3.
What are the key properties of 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol?
2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol has a molecular weight of 234.07 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol is sourced from PubChem (CID 84697319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).