1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

C15H21BrFNO3 — CID 59563422

IUPAC1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COc2ccc(Br)c(F)c2)CC(C)O1
InChIInChI=1S/C15H21BrFNO3/c1-10-6-18(7-11(2)21-10)8-12(19)9-20-13-3-4-14(16)15(17)5-13/h3-5,10-12,19H,6-9H2,1-2H3
InChIKeyAOCGYVQMDFJVOT-UHFFFAOYSA-N
MW362.24 g/mol
LogP2.44
Rot. Bonds5

About 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 59563422) has the molecular formula C15H21BrFNO3 and a molecular weight of 362.24 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID59563422
Molecular FormulaC15H21BrFNO3
Molecular Weight362.24 g/mol
Exact Mass361.07
IUPAC Name1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COc2ccc(Br)c(F)c2)CC(C)O1
InChIInChI=1S/C15H21BrFNO3/c1-10-6-18(7-11(2)21-10)8-12(19)9-20-13-3-4-14(16)15(17)5-13/h3-5,10-12,19H,6-9H2,1-2H3
InChIKeyAOCGYVQMDFJVOT-UHFFFAOYSA-N
XLogP2.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
1-(4-bromo-2,6-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol chloride
CID 21237785
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803
1-(4-bromo-3-fluorophenoxy)-3-thiomorpholin-4-ylpropan-2-ol
CID 59563475
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 59563443
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
CID 21237837
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[4-[4-[(2R)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 124765058
1-(2-chloro-4-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110884437
1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 111113659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 59563422) is 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)COc2ccc(Br)c(F)c2)CC(C)O1.
What is the InChIKey of 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is AOCGYVQMDFJVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO3/c1-10-6-18(7-11(2)21-10)8-12(19)9-20-13-3-4-14(16)15(17)5-13/h3-5,10-12,19H,6-9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 362.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 59563422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).