2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one

C15H23NO2 — CID 112512495

IUPAC2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
SMILESCCNC(CC)C(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-6-13(16-7-2)15(17)12-8-11(4)14(18-5)9-10(12)3/h8-9,13,16H,6-7H2,1-5H3
InChIKeyGYOZEXDSQYEUKR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.88
Rot. Bonds6

About 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one

2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one (PubChem CID 112512495) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
PubChem CID112512495
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
SMILESCCNC(CC)C(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-6-13(16-7-2)15(17)12-8-11(4)14(18-5)9-10(12)3/h8-9,13,16H,6-7H2,1-5H3
InChIKeyGYOZEXDSQYEUKR-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809
4-(4-methoxy-2,5-dimethylphenyl)-4-oxo-3-(propylamino)butanoic acid
CID 82350041
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,3-dione
CID 94262228
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
1-(4-methoxy-2,5-dimethylphenyl)-2-methylsulfonylpropan-1-one
CID 115797703
1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
CID 43626575
2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116707254
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
1-(5-chloro-4-methoxy-2-methylphenyl)-2-(methylaminomethyl)butan-1-one
CID 116923895
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513634
2-amino-1-(4-methoxy-2,5-dimethylphenyl)-4-methylsulfonylbutan-1-one
CID 116552006

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one?
The IUPAC name of 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one (CID 112512495) is 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one is CCNC(CC)C(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one?
The InChIKey is GYOZEXDSQYEUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-13(16-7-2)15(17)12-8-11(4)14(18-5)9-10(12)3/h8-9,13,16H,6-7H2,1-5H3.
What are the key properties of 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one?
2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one is sourced from PubChem (CID 112512495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).