1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one

C14H21NO2 — CID 112512244

IUPAC1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
SMILESCCc1ccc(OC)c(C(=O)C(CC)NC)c1
InChIInChI=1S/C14H21NO2/c1-5-10-7-8-13(17-4)11(9-10)14(16)12(6-2)15-3/h7-9,12,15H,5-6H2,1-4H3
InChIKeyJFPRBPZGZNENPM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds6

About 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one

1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one (PubChem CID 112512244) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
PubChem CID112512244
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
SMILESCCc1ccc(OC)c(C(=O)C(CC)NC)c1
InChIInChI=1S/C14H21NO2/c1-5-10-7-8-13(17-4)11(9-10)14(16)12(6-2)15-3/h7-9,12,15H,5-6H2,1-4H3
InChIKeyJFPRBPZGZNENPM-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
CID 70453795
methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
CID 107668050
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 116915679
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one
CID 112514041
N-(4-acetylphenyl)-5-ethyl-2-methoxybenzamide
CID 110762005
4-ethyl-2-methoxybenzoic acid
CID 18687349

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one (CID 112512244) is 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one is CCc1ccc(OC)c(C(=O)C(CC)NC)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one?
The InChIKey is JFPRBPZGZNENPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-10-7-8-13(17-4)11(9-10)14(16)12(6-2)15-3/h7-9,12,15H,5-6H2,1-4H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one?
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one is sourced from PubChem (CID 112512244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).