4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol

C10H13BrFNO2 — CID 117445518

IUPAC4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Br)c(C(C)(C)N)c1F
InChIInChI=1S/C10H13BrFNO2/c1-10(2,13)7-5(11)4-6(14)9(15-3)8(7)12/h4,14H,13H2,1-3H3
InChIKeyOJIJGWFMKKFFCE-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.50
Rot. Bonds2

About 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol

4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol (PubChem CID 117445518) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
PubChem CID117445518
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Br)c(C(C)(C)N)c1F
InChIInChI=1S/C10H13BrFNO2/c1-10(2,13)7-5(11)4-6(14)9(15-3)8(7)12/h4,14H,13H2,1-3H3
InChIKeyOJIJGWFMKKFFCE-UHFFFAOYSA-N
XLogP2.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523
4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117378201
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638
2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475580
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol?
The IUPAC name of 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol (CID 117445518) is 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol is COc1c(O)cc(Br)c(C(C)(C)N)c1F.
What is the InChIKey of 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol?
The InChIKey is OJIJGWFMKKFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-10(2,13)7-5(11)4-6(14)9(15-3)8(7)12/h4,14H,13H2,1-3H3.
What are the key properties of 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol?
4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol has a molecular weight of 278.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 117445518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).