1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one

C14H19NO2 — CID 10198554

IUPAC1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H19NO2/c1-12-3-2-4-13(11-12)14(16)5-6-15-7-9-17-10-8-15/h2-4,11H,5-10H2,1H3
InChIKeyPJNKREVXXMJIFC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds4

About 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one

1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one (PubChem CID 10198554) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
PubChem CID10198554
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H19NO2/c1-12-3-2-4-13(11-12)14(16)5-6-15-7-9-17-10-8-15/h2-4,11H,5-10H2,1H3
InChIKeyPJNKREVXXMJIFC-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylphenyl)-3-morpholin-4-ylpropan-1-one
CID 70850714
3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 55156322
3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
CID 106837729
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 103358415
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-methylphenyl)propan-1-one
CID 63151310

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one (CID 10198554) is 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one is Cc1cccc(C(=O)CCN2CCOCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is PJNKREVXXMJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12-3-2-4-13(11-12)14(16)5-6-15-7-9-17-10-8-15/h2-4,11H,5-10H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one?
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 10198554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).