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

C13H17BrFNO2 — CID 79086890

IUPAC2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFNO2/c1-16-4-5-18-13(8-16)12(17)6-9-2-3-10(15)7-11(9)14/h2-3,7,12-13,17H,4-6,8H2,1H3
InChIKeyKBIHSALJHKAMAR-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.82
Rot. Bonds3

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

2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol (PubChem CID 79086890) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
PubChem CID79086890
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFNO2/c1-16-4-5-18-13(8-16)12(17)6-9-2-3-10(15)7-11(9)14/h2-3,7,12-13,17H,4-6,8H2,1H3
InChIKeyKBIHSALJHKAMAR-UHFFFAOYSA-N
XLogP1.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79668703
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
2-(4-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 114347522
2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 114012662
N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547417
2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086894
2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331133
[2-(2-chloro-5-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 102623373
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
2-(2-amino-4-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087290
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol (CID 79086890) is 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol is CN1CCOC(C(O)Cc2ccc(F)cc2Br)C1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The InChIKey is KBIHSALJHKAMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-16-4-5-18-13(8-16)12(17)6-9-2-3-10(15)7-11(9)14/h2-3,7,12-13,17H,4-6,8H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol has a molecular weight of 318.19 g/mol, XLogP of 1.82, 3 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-methylmorpholin-2-yl)ethanol is sourced from PubChem (CID 79086890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).