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

C14H19NO2 — CID 110728423

IUPAC1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
SMILESCCC(=O)N1CCOC(c2ccccc2)C1C
InChIInChI=1S/C14H19NO2/c1-3-13(16)15-9-10-17-14(11(15)2)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyWROPBUTZENKILM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds2

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

1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 110728423) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
PubChem CID110728423
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
SMILESCCC(=O)N1CCOC(c2ccccc2)C1C
InChIInChI=1S/C14H19NO2/c1-3-13(16)15-9-10-17-14(11(15)2)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyWROPBUTZENKILM-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
2-(dimethylamino)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
CID 170895902
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110728463
(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110728429
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
(4-methoxyphenyl)-(3-methyl-2-phenylmorpholin-4-yl)methanone
CID 110728442
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
2,3-dihydroxybutanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydrate
CID 173400053
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone
CID 6975520
2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
CID 20395

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one (CID 110728423) is 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one is CCC(=O)N1CCOC(c2ccccc2)C1C.
What is the InChIKey of 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is WROPBUTZENKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-13(16)15-9-10-17-14(11(15)2)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one?
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 110728423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).