2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol

C15H21BrFNO2 — CID 79668703

IUPAC2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H21BrFNO2/c1-2-5-18-6-7-20-15(10-18)14(19)8-11-3-4-12(17)9-13(11)16/h3-4,9,14-15,19H,2,5-8,10H2,1H3
InChIKeyOXMSMVWWASAZJO-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.60
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol (PubChem CID 79668703) has the molecular formula C15H21BrFNO2 and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
PubChem CID79668703
Molecular FormulaC15H21BrFNO2
Molecular Weight346.24 g/mol
Exact Mass345.07
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H21BrFNO2/c1-2-5-18-6-7-20-15(10-18)14(19)8-11-3-4-12(17)9-13(11)16/h3-4,9,14-15,19H,2,5-8,10H2,1H3
InChIKeyOXMSMVWWASAZJO-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 114347522
2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086890
2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 104800383
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 105374147
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79669879
1-(4-propylmorpholin-2-yl)hexan-1-ol
CID 79669554
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 106645880

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol (CID 79668703) is 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol is CCCN1CCOC(C(O)Cc2ccc(F)cc2Br)C1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol?
The InChIKey is OXMSMVWWASAZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2/c1-2-5-18-6-7-20-15(10-18)14(19)8-11-3-4-12(17)9-13(11)16/h3-4,9,14-15,19H,2,5-8,10H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol has a molecular weight of 346.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol is sourced from PubChem (CID 79668703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).