3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol

C9H11BrFNO2 — CID 84711178

IUPAC3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
SMILESCNCc1c(F)cc(Br)c(OC)c1O
InChIInChI=1S/C9H11BrFNO2/c1-12-4-5-7(11)3-6(10)9(14-2)8(5)13/h3,12-13H,4H2,1-2H3
InChIKeyAPQYSPVOZJUYOV-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.02
Rot. Bonds3

About 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol

3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol (PubChem CID 84711178) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
PubChem CID84711178
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
SMILESCNCc1c(F)cc(Br)c(OC)c1O
InChIInChI=1S/C9H11BrFNO2/c1-12-4-5-7(11)3-6(10)9(14-2)8(5)13/h3,12-13H,4H2,1-2H3
InChIKeyAPQYSPVOZJUYOV-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)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

1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84714597
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 117449341
2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
CID 84777069
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006
1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine
CID 96709380
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 83897923
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
3,5-difluoro-2-(methylaminomethyl)phenol
CID 84766377
1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
CID 84697228

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
The IUPAC name of 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol (CID 84711178) is 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol.
What is the SMILES notation for 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
The canonical SMILES for 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol is CNCc1c(F)cc(Br)c(OC)c1O.
What is the InChIKey of 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
The InChIKey is APQYSPVOZJUYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-12-4-5-7(11)3-6(10)9(14-2)8(5)13/h3,12-13H,4H2,1-2H3.
What are the key properties of 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol has a molecular weight of 264.09 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol is sourced from PubChem (CID 84711178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).