1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one

C15H23NO2 — CID 82100519

IUPAC1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
SMILESCOCCCNC(C)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-11-6-7-14(12(2)10-11)15(17)13(3)16-8-5-9-18-4/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyXNRBMTIAQMOTIJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.50
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one

1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one (PubChem CID 82100519) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
PubChem CID82100519
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
SMILESCOCCCNC(C)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-11-6-7-14(12(2)10-11)15(17)13(3)16-8-5-9-18-4/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyXNRBMTIAQMOTIJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100560
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one
CID 82100526
2-cyano-3-(2,4-dimethylphenyl)-3-oxo-N-(3-propan-2-yloxypropyl)propanamide
CID 87011767
1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
CID 103178860
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfanyl)ethanone
CID 63857404
1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82100550
2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82101067

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one (CID 82100519) is 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one is COCCCNC(C)C(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one?
The InChIKey is XNRBMTIAQMOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-14(12(2)10-11)15(17)13(3)16-8-5-9-18-4/h6-7,10,13,16H,5,8-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one?
1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one is sourced from PubChem (CID 82100519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).