1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol

C16H24FNO3 — CID 111113659

IUPAC1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCCC1CN(CC(O)COc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C16H24FNO3/c1-3-15-10-18(8-12(2)21-15)9-14(19)11-20-16-6-4-13(17)5-7-16/h4-7,12,14-15,19H,3,8-11H2,1-2H3
InChIKeyYEVCANGTLHXOGD-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.06
Rot. Bonds6

About 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol

1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 111113659) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
PubChem CID111113659
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCCC1CN(CC(O)COc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C16H24FNO3/c1-3-15-10-18(8-12(2)21-15)9-14(19)11-20-16-6-4-13(17)5-7-16/h4-7,12,14-15,19H,3,8-11H2,1-2H3
InChIKeyYEVCANGTLHXOGD-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenoxy)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102932193
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
(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-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 59563422
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116624
(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 8009015
(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7064341
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 98242648

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol (CID 111113659) is 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol is CCC1CN(CC(O)COc2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is YEVCANGTLHXOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-3-15-10-18(8-12(2)21-15)9-14(19)11-20-16-6-4-13(17)5-7-16/h4-7,12,14-15,19H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol?
1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 297.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 111113659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).