1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride

C15H21ClNO2- — CID 45108470

IUPAC1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
SMILESCc1ccc(C(=O)CCN2CCOCC2)c(C)c1.[Cl-]
InChIInChI=1S/C15H21NO2.ClH/c1-12-3-4-14(13(2)11-12)15(17)5-6-16-7-9-18-10-8-16;/h3-4,11H,5-10H2,1-2H3;1H/p-1
InChIKeyRCYRPDJIUVAAOK-UHFFFAOYSA-M
MW282.79 g/mol
LogP-0.79
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride

1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride (PubChem CID 45108470) has the molecular formula C15H21ClNO2- and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
PubChem CID45108470
Molecular FormulaC15H21ClNO2-
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
SMILESCc1ccc(C(=O)CCN2CCOCC2)c(C)c1.[Cl-]
InChIInChI=1S/C15H21NO2.ClH/c1-12-3-4-14(13(2)11-12)15(17)5-6-16-7-9-18-10-8-16;/h3-4,11H,5-10H2,1-2H3;1H/p-1
InChIKeyRCYRPDJIUVAAOK-UHFFFAOYSA-M
XLogP-0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride (CID 45108470) is 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride is Cc1ccc(C(=O)CCN2CCOCC2)c(C)c1.[Cl-].
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride?
The InChIKey is RCYRPDJIUVAAOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO2.ClH/c1-12-3-4-14(13(2)11-12)15(17)5-6-16-7-9-18-10-8-16;/h3-4,11H,5-10H2,1-2H3;1H/p-1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride?
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride has a molecular weight of 282.79 g/mol, XLogP of -0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride is sourced from PubChem (CID 45108470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).