[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone

C14H19NO2 — CID 95358527

IUPAC[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
SMILESCC[C@H]1CO[C@H](C)CN1C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-13-10-17-11(2)9-15(13)14(16)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyDAWCJBONHGJIDS-YPMHNXCESA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds2

About [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone

[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone (PubChem CID 95358527) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
PubChem CID95358527
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
SMILESCC[C@H]1CO[C@H](C)CN1C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-13-10-17-11(2)9-15(13)14(16)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyDAWCJBONHGJIDS-YPMHNXCESA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 42904647
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzonitrile
CID 60645396
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915
(5-ethyl-2-methylmorpholin-4-yl)-(1H-indol-6-yl)methanone
CID 61060054
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584
2,3-dihydro-1H-isoindol-5-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103998009
(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61155949
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 43574117

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone?
The IUPAC name of [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone (CID 95358527) is [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone?
The canonical SMILES for [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone is CC[C@H]1CO[C@H](C)CN1C(=O)c1ccccc1.
What is the InChIKey of [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone?
The InChIKey is DAWCJBONHGJIDS-YPMHNXCESA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-13-10-17-11(2)9-15(13)14(16)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone?
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone has a molecular weight of 233.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 95358527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).