2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one

C16H24N2O2 — CID 119769860

IUPAC2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
SMILESCNCC(C)C(=O)N1CC(c2ccccc2)OCC1C
InChIInChI=1S/C16H24N2O2/c1-12(9-17-3)16(19)18-10-15(20-11-13(18)2)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3
InChIKeyDWXZJNGMZRABDL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one

2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 119769860) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
PubChem CID119769860
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
SMILESCNCC(C)C(=O)N1CC(c2ccccc2)OCC1C
InChIInChI=1S/C16H24N2O2/c1-12(9-17-3)16(19)18-10-15(20-11-13(18)2)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3
InChIKeyDWXZJNGMZRABDL-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369319
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
1-(5-methyl-2-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119769865
2-(5-methyl-2-phenylmorpholin-4-yl)acetic acid
CID 119135239
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 125130227
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 110369570
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877
2-[4-[(2S,5R)-5-methyl-2-phenylmorpholine-4-carbonyl]triazol-1-yl]acetic acid
CID 166303132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one (CID 119769860) is 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one is CNCC(C)C(=O)N1CC(c2ccccc2)OCC1C.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is DWXZJNGMZRABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(9-17-3)16(19)18-10-15(20-11-13(18)2)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one?
2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 119769860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).