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

C9H11BrFNO2 — CID 84807288

IUPAC4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Br)c(OC)c(F)c1O
InChIInChI=1S/C9H11BrFNO2/c1-12-4-5-3-6(10)9(14-2)7(11)8(5)13/h3,12-13H,4H2,1-2H3
InChIKeyWIZXCYMFPDCODE-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.02
Rot. Bonds3

About 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol

4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol (PubChem CID 84807288) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
PubChem CID84807288
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Br)c(OC)c(F)c1O
InChIInChI=1S/C9H11BrFNO2/c1-12-4-5-3-6(10)9(14-2)7(11)8(5)13/h3,12-13H,4H2,1-2H3
InChIKeyWIZXCYMFPDCODE-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'}

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Related Compounds

2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
CID 84777069
1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine
CID 96709380
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
4-bromo-2-fluoro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489185
2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol
CID 84769618
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol?
The IUPAC name of 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol (CID 84807288) is 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol?
The canonical SMILES for 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol is CNCc1cc(Br)c(OC)c(F)c1O.
What is the InChIKey of 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol?
The InChIKey is WIZXCYMFPDCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-12-4-5-3-6(10)9(14-2)7(11)8(5)13/h3,12-13H,4H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol?
4-bromo-2-fluoro-3-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 4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol is sourced from PubChem (CID 84807288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).