2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone

C16H25NO2 — CID 82053889

IUPAC2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone
SMILESCCOc1cc(C)c(C)cc1C(=O)CN(CC)CC
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)11-15(18)14-9-12(4)13(5)10-16(14)19-8-3/h9-10H,6-8,11H2,1-5H3
InChIKeyXHDZHVQBIDQLLQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds7

About 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone

2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone (PubChem CID 82053889) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone
PubChem CID82053889
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone
SMILESCCOc1cc(C)c(C)cc1C(=O)CN(CC)CC
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)11-15(18)14-9-12(4)13(5)10-16(14)19-8-3/h9-10H,6-8,11H2,1-5H3
InChIKeyXHDZHVQBIDQLLQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
CID 82053867
2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051101
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
2-chloro-1-(4,5-dimethyl-2-propoxyphenyl)ethanone
CID 82053916
2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 82051364
2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone
CID 82051032
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone (CID 82053889) is 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone is CCOc1cc(C)c(C)cc1C(=O)CN(CC)CC.
What is the InChIKey of 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone?
The InChIKey is XHDZHVQBIDQLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17(7-2)11-15(18)14-9-12(4)13(5)10-16(14)19-8-3/h9-10H,6-8,11H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone?
2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone is sourced from PubChem (CID 82053889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).