1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone

C14H19NO2 — CID 5325728

IUPAC1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
SMILESCC[C@@H]1COCCN1c1ccccc1C(C)=O
InChIInChI=1S/C14H19NO2/c1-3-12-10-17-9-8-15(12)14-7-5-4-6-13(14)11(2)16/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1
InChIKeyQURKASZQWJUIMI-GFCCVEGCSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds3

About 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone

1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone (PubChem CID 5325728) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
PubChem CID5325728
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
SMILESCC[C@@H]1COCCN1c1ccccc1C(C)=O
InChIInChI=1S/C14H19NO2/c1-3-12-10-17-9-8-15(12)14-7-5-4-6-13(14)11(2)16/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1
InChIKeyQURKASZQWJUIMI-GFCCVEGCSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
CID 43613288
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607
methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate
CID 61305378
3-ethyl-4-phenylmorpholine
CID 154695616
ethyl 2-(3-aminomorpholin-4-yl)benzoate
CID 174958106
2-[4-(2-ethylphenyl)morpholin-3-yl]ethanol
CID 117009287
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
5-chloro-2-(3-ethylmorpholin-4-yl)benzenecarboximidamide
CID 62493254
2-amino-4-bromo-5-(3-ethylmorpholin-4-yl)benzamide
CID 114278280
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
1-(3-ethylmorpholin-4-yl)isoquinoline-3-carboxylic acid
CID 43613541
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
CID 82989331

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone (CID 5325728) is 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone is CC[C@@H]1COCCN1c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone?
The InChIKey is QURKASZQWJUIMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12-10-17-9-8-15(12)14-7-5-4-6-13(14)11(2)16/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone?
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone is sourced from PubChem (CID 5325728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).