3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one

C17H25NO2 — CID 110369052

IUPAC3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCc1ccc(C2CN(C(=O)CC(C)C)CC(C)O2)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)9-17(19)18-10-14(4)20-16(11-18)15-7-5-13(3)6-8-15/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyRIXHGIORIWQHKT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.33
Rot. Bonds3

About 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one

3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one (PubChem CID 110369052) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one
PubChem CID110369052
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCc1ccc(C2CN(C(=O)CC(C)C)CC(C)O2)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)9-17(19)18-10-14(4)20-16(11-18)15-7-5-13(3)6-8-15/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyRIXHGIORIWQHKT-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369056
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
(3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369071
2-amino-2-(4-methylphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 120667864
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
N-[(1R)-3-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 100905520
1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119799303
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one (CID 110369052) is 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one is Cc1ccc(C2CN(C(=O)CC(C)C)CC(C)O2)cc1.
What is the InChIKey of 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one?
The InChIKey is RIXHGIORIWQHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)9-17(19)18-10-14(4)20-16(11-18)15-7-5-13(3)6-8-15/h5-8,12,14,16H,9-11H2,1-4H3.
What are the key properties of 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one?
3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 110369052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).