1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone

C15H23NO2 — CID 96675991

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
SMILESCOc1c(C)cc(C(=O)CNC(C)C)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-9(2)16-8-14(17)13-7-10(3)15(18-6)12(5)11(13)4/h7,9,16H,8H2,1-6H3
InChIKeySNSVOSJEFPVZEG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone

1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone (PubChem CID 96675991) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
PubChem CID96675991
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
SMILESCOc1c(C)cc(C(=O)CNC(C)C)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-9(2)16-8-14(17)13-7-10(3)15(18-6)12(5)11(13)4/h7,9,16H,8H2,1-6H3
InChIKeySNSVOSJEFPVZEG-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774
2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82053775
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
CID 116916007
2-(4-methoxy-2,3,5-trimethylphenyl)-2-oxoacetic acid
CID 82286864
4-methoxy-N',2,3,5-tetramethylbenzohydrazide
CID 116846887
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
1-(6-methyl-1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethanone
CID 116916687
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
CID 82114243

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone (CID 96675991) is 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone is COc1c(C)cc(C(=O)CNC(C)C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone?
The InChIKey is SNSVOSJEFPVZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9(2)16-8-14(17)13-7-10(3)15(18-6)12(5)11(13)4/h7,9,16H,8H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone?
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone has a molecular weight of 249.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 96675991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).