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

C16H25NO2 — CID 82100560

IUPAC1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-5-19-10-6-9-17-14(4)16(18)15-8-7-12(2)11-13(15)3/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyGJELSFDWZPGNMR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.89
Rot. Bonds8

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

1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one (PubChem CID 82100560) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
PubChem CID82100560
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-5-19-10-6-9-17-14(4)16(18)15-8-7-12(2)11-13(15)3/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyGJELSFDWZPGNMR-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.89
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-methoxypropylamino)propan-1-one
CID 82100519
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258026
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
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82100550
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one (CID 82100560) is 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one is CCOCCCNC(C)C(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one?
The InChIKey is GJELSFDWZPGNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-19-10-6-9-17-14(4)16(18)15-8-7-12(2)11-13(15)3/h7-8,11,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one?
1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.89, 8 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-ethoxypropylamino)propan-1-one is sourced from PubChem (CID 82100560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).