1-(3-methyl-2-phenylmorpholin-2-yl)ethanone

C13H17NO2 — CID 69424079

IUPAC1-(3-methyl-2-phenylmorpholin-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)OCCNC1C
InChIInChI=1S/C13H17NO2/c1-10-13(11(2)15,16-9-8-14-10)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyMXHOOWOXOVMWET-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.48
Rot. Bonds2

About 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone

1-(3-methyl-2-phenylmorpholin-2-yl)ethanone (PubChem CID 69424079) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2-phenylmorpholin-2-yl)ethanone
PubChem CID69424079
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3-methyl-2-phenylmorpholin-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)OCCNC1C
InChIInChI=1S/C13H17NO2/c1-10-13(11(2)15,16-9-8-14-10)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyMXHOOWOXOVMWET-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone (CID 69424079) is 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone is CC(=O)C1(c2ccccc2)OCCNC1C.
What is the InChIKey of 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone?
The InChIKey is MXHOOWOXOVMWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-13(11(2)15,16-9-8-14-10)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone?
1-(3-methyl-2-phenylmorpholin-2-yl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylmorpholin-2-yl)ethanone is sourced from PubChem (CID 69424079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).