4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol

C11H15BrFNO2 — CID 104581898

IUPAC4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol
SMILESCC(N[C@H](C)CO)c1cc(Br)c(F)cc1O
InChIInChI=1S/C11H15BrFNO2/c1-6(5-15)14-7(2)8-3-9(12)10(13)4-11(8)16/h3-4,6-7,14-16H,5H2,1-2H3/t6-,7?/m1/s1
InChIKeySHKGBUCMWJMMOY-ULUSZKPHSA-N
MW292.15 g/mol
LogP2.33
Rot. Bonds4

About 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol

4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol (PubChem CID 104581898) has the molecular formula C11H15BrFNO2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol
PubChem CID104581898
Molecular FormulaC11H15BrFNO2
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC Name4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol
SMILESCC(N[C@H](C)CO)c1cc(Br)c(F)cc1O
InChIInChI=1S/C11H15BrFNO2/c1-6(5-15)14-7(2)8-3-9(12)10(13)4-11(8)16/h3-4,6-7,14-16H,5H2,1-2H3/t6-,7?/m1/s1
InChIKeySHKGBUCMWJMMOY-ULUSZKPHSA-N
XLogP2.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
4-bromo-2-[1-[[(2S)-1-hydroxypropan-2-yl]amino]ethyl]phenol
CID 104583031
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 104582778
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
(2S)-2-[1-[2-bromo-5-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 167970384
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol (CID 104581898) is 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol is CC(N[C@H](C)CO)c1cc(Br)c(F)cc1O.
What is the InChIKey of 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol?
The InChIKey is SHKGBUCMWJMMOY-ULUSZKPHSA-N. The full InChI is InChI=1S/C11H15BrFNO2/c1-6(5-15)14-7(2)8-3-9(12)10(13)4-11(8)16/h3-4,6-7,14-16H,5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol?
4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol has a molecular weight of 292.15 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 104581898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).