[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol

C14H21NO2 — CID 146573821

IUPAC[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
SMILESCC[C@@H]1CO[C@@H](CO)CN1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-13-11-17-14(10-16)9-15(13)8-12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyRPAQEOMGWYJYDF-ZIAGYGMSSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds4

About [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol

[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol (PubChem CID 146573821) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
PubChem CID146573821
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
SMILESCC[C@@H]1CO[C@@H](CO)CN1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-13-11-17-14(10-16)9-15(13)8-12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyRPAQEOMGWYJYDF-ZIAGYGMSSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
CID 171373496
(4-benzyl-6-methylmorpholin-3-yl)methanol
CID 131123485
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
(2S,5S,8S)-1,4-dibenzyl-7-[2-[(2S,5S,8S)-4,7-dibenzyl-2,5,8-triethyl-1,4,7-triazonan-1-yl]ethyl]-2,5,8-triethyl-1,4,7-triazonane
CID 171735293
1-[(2S,5R)-4-benzyl-5-ethylmorpholin-2-yl]-2-[(2S,5R)-5-ethylmorpholin-2-yl]ethane-1,2-diol
CID 90096901
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol
CID 170360142
(2R,5R,8R,11R)-1,7-dibenzyl-2,5,8,11-tetraethyl-1,7-diaza-4,10-diazoniacyclododecane dibromide
CID 139057047
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol?
The IUPAC name of [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol (CID 146573821) is [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol?
The canonical SMILES for [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol is CC[C@@H]1CO[C@@H](CO)CN1Cc1ccccc1.
What is the InChIKey of [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol?
The InChIKey is RPAQEOMGWYJYDF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-13-11-17-14(10-16)9-15(13)8-12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol?
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol is sourced from PubChem (CID 146573821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).