3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol

C11H15BrFNO2 — CID 117471634

IUPAC3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
SMILESCOc1cc(Br)c(C(C)CCN)c(F)c1O
InChIInChI=1S/C11H15BrFNO2/c1-6(3-4-14)9-7(12)5-8(16-2)11(15)10(9)13/h5-6,15H,3-4,14H2,1-2H3
InChIKeyYAXTVPMTXQAPNJ-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.75
Rot. Bonds4

About 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol

3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol (PubChem CID 117471634) has the molecular formula C11H15BrFNO2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
PubChem CID117471634
Molecular FormulaC11H15BrFNO2
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC Name3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
SMILESCOc1cc(Br)c(C(C)CCN)c(F)c1O
InChIInChI=1S/C11H15BrFNO2/c1-6(3-4-14)9-7(12)5-8(16-2)11(15)10(9)13/h5-6,15H,3-4,14H2,1-2H3
InChIKeyYAXTVPMTXQAPNJ-UHFFFAOYSA-N
XLogP2.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638
3-(2-bromo-6-methoxy-4-methylphenyl)butan-1-amine
CID 84809713
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015
3-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491312
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol?
The IUPAC name of 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol (CID 117471634) is 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol.
What is the SMILES notation for 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol?
The canonical SMILES for 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol is COc1cc(Br)c(C(C)CCN)c(F)c1O.
What is the InChIKey of 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol?
The InChIKey is YAXTVPMTXQAPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2/c1-6(3-4-14)9-7(12)5-8(16-2)11(15)10(9)13/h5-6,15H,3-4,14H2,1-2H3.
What are the key properties of 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol?
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol has a molecular weight of 292.15 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol is sourced from PubChem (CID 117471634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).