(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol

C17H27NO4 — CID 124738646

IUPAC(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol
SMILESCCOc1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@H]2C)cc1
InChIInChI=1S/C17H27NO4/c1-4-20-16-5-7-17(8-6-16)22-12-15(19)10-18-9-14(3)21-11-13(18)2/h5-8,13-15,19H,4,9-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyRNALYRRDOSIKLT-QLFBSQMISA-N
MW309.41 g/mol
LogP1.93
Rot. Bonds7

About (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol

(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol (PubChem CID 124738646) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol
PubChem CID124738646
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol
SMILESCCOc1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@H]2C)cc1
InChIInChI=1S/C17H27NO4/c1-4-20-16-5-7-17(8-6-16)22-12-15(19)10-18-9-14(3)21-11-13(18)2/h5-8,13-15,19H,4,9-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyRNALYRRDOSIKLT-QLFBSQMISA-N
XLogP1.93
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

methyl 4-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]benzoate
CID 47025128
methyl 4-[(2R)-3-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 124743615
methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 124743616
1-[3-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 51077725
2-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]benzonitrile
CID 43544577
2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine
CID 43544509
(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124735118
1-[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpiperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 43001374
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 124721948
1-cyclopentyl-2-(2,5-dimethylmorpholin-4-yl)ethanol
CID 104752531
1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 111113659

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol (CID 124738646) is (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol is CCOc1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@H]2C)cc1.
What is the InChIKey of (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol?
The InChIKey is RNALYRRDOSIKLT-QLFBSQMISA-N. The full InChI is InChI=1S/C17H27NO4/c1-4-20-16-5-7-17(8-6-16)22-12-15(19)10-18-9-14(3)21-11-13(18)2/h5-8,13-15,19H,4,9-12H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol?
(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 124738646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).