1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol

C17H27NO3 — CID 110888534

IUPAC1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)CN2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO3/c1-4-14-5-7-16(8-6-14)20-12-15(19)11-18-9-10-21-17(2,3)13-18/h5-8,15,19H,4,9-13H2,1-3H3
InChIKeyYBJUJAHYXXCAFR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.10
Rot. Bonds6

About 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol

1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol (PubChem CID 110888534) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol
PubChem CID110888534
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)CN2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO3/c1-4-14-5-7-16(8-6-14)20-12-15(19)11-18-9-10-21-17(2,3)13-18/h5-8,15,19H,4,9-13H2,1-3H3
InChIKeyYBJUJAHYXXCAFR-UHFFFAOYSA-N
XLogP2.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72901138
(2S)-1-[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97273534
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 97268684
4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
CID 70254082
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 18086489
1-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 46596157
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol (CID 110888534) is 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol is CCc1ccc(OCC(O)CN2CCOC(C)(C)C2)cc1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol?
The InChIKey is YBJUJAHYXXCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-14-5-7-16(8-6-14)20-12-15(19)11-18-9-10-21-17(2,3)13-18/h5-8,15,19H,4,9-13H2,1-3H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol?
1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 110888534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).