2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol

C10H13BrFNO2 — CID 84811322

IUPAC2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol
SMILESCc1cc(Br)c(O)c(C(O)C(C)N)c1F
InChIInChI=1S/C10H13BrFNO2/c1-4-3-6(11)10(15)7(8(4)12)9(14)5(2)13/h3,5,9,14-15H,13H2,1-2H3
InChIKeyGRXBSPVUOCZEQR-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.98
Rot. Bonds2

About 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol

2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol (PubChem CID 84811322) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol
PubChem CID84811322
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol
SMILESCc1cc(Br)c(O)c(C(O)C(C)N)c1F
InChIInChI=1S/C10H13BrFNO2/c1-4-3-6(11)10(15)7(8(4)12)9(14)5(2)13/h3,5,9,14-15H,13H2,1-2H3
InChIKeyGRXBSPVUOCZEQR-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
CID 131076622
5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol
CID 84807316
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
CID 164658455
1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117369438
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-bromo-3,4-difluorophenol
CID 131256767
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol?
The IUPAC name of 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol (CID 84811322) is 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol.
What is the SMILES notation for 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol?
The canonical SMILES for 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol is Cc1cc(Br)c(O)c(C(O)C(C)N)c1F.
What is the InChIKey of 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol?
The InChIKey is GRXBSPVUOCZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-4-3-6(11)10(15)7(8(4)12)9(14)5(2)13/h3,5,9,14-15H,13H2,1-2H3.
What are the key properties of 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol?
2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol has a molecular weight of 278.12 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol is sourced from PubChem (CID 84811322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).