2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone

C14H20N2O2 — CID 124686301

IUPAC2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
SMILESCNCC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-9-16(14(17)8-15-2)13(10-18-11)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyMLONGLNCSHUHNL-WCQYABFASA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds3

About 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone

2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone (PubChem CID 124686301) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
PubChem CID124686301
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
SMILESCNCC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-9-16(14(17)8-15-2)13(10-18-11)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyMLONGLNCSHUHNL-WCQYABFASA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone (CID 124686301) is 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone is CNCC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1.
What is the InChIKey of 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone?
The InChIKey is MLONGLNCSHUHNL-WCQYABFASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-9-16(14(17)8-15-2)13(10-18-11)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone?
2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 124686301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).