4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol

C8H9BrFNO2 — CID 117378201

IUPAC4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Br)c(CN)c1F
InChIInChI=1S/C8H9BrFNO2/c1-13-8-6(12)2-5(9)4(3-11)7(8)10/h2,12H,3,11H2,1H3
InChIKeyLLTWCMLREFQXJB-UHFFFAOYSA-N
MW250.07 g/mol
LogP1.76
Rot. Bonds2

About 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol

4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol (PubChem CID 117378201) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
PubChem CID117378201
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC Name4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Br)c(CN)c1F
InChIInChI=1S/C8H9BrFNO2/c1-13-8-6(12)2-5(9)4(3-11)7(8)10/h2,12H,3,11H2,1H3
InChIKeyLLTWCMLREFQXJB-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518
3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475580
4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
2-(aminomethyl)-3-bromo-5-fluorophenol
CID 119001457
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
3-amino-2-(5-bromo-3-fluoro-4-hydroxy-2-methoxyphenyl)propanoic acid
CID 117492875
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol?
The IUPAC name of 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol (CID 117378201) is 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol?
The canonical SMILES for 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol is COc1c(O)cc(Br)c(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol?
The InChIKey is LLTWCMLREFQXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2/c1-13-8-6(12)2-5(9)4(3-11)7(8)10/h2,12H,3,11H2,1H3.
What are the key properties of 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol?
4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol has a molecular weight of 250.07 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 117378201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).