1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

C11H15BrFNO — CID 81442005

IUPAC1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyKBMOPSJYYFRGSV-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.62
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 81442005) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID81442005
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyKBMOPSJYYFRGSV-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 13355733
1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 83240387
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 112512391
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
3-(4-bromo-3-fluorophenyl)-3-hydroxypropanenitrile
CID 81441405
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
CID 81436324

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (CID 81442005) is 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is KBMOPSJYYFRGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 276.15 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 81442005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).