3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one

C15H23NO2 — CID 116567372

IUPAC3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-10-7-11(2)13(12(3)8-10)9-15(17)14(16)5-6-18-4/h7-8,14H,5-6,9,16H2,1-4H3
InChIKeyRHNIHRUVDJXQOP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.09
Rot. Bonds6

About 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one

3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one (PubChem CID 116567372) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
PubChem CID116567372
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-10-7-11(2)13(12(3)8-10)9-15(17)14(16)5-6-18-4/h7-8,14H,5-6,9,16H2,1-4H3
InChIKeyRHNIHRUVDJXQOP-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methylsulfonyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116552052
3-amino-1-(3,4-dimethylphenyl)-5-methoxypentan-2-one
CID 116567369
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
CID 120985345
3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one
CID 116567202
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62473589
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406
3-amino-1-(5-bromo-2-methoxyphenyl)-5-methoxypentan-2-one
CID 116567439
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103967406
3-amino-1-(4-fluoro-2-methylphenyl)-6-methoxyhexan-2-one
CID 114350472
2-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
The IUPAC name of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one (CID 116567372) is 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one.
What is the SMILES notation for 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
The canonical SMILES for 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one is COCCC(N)C(=O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
The InChIKey is RHNIHRUVDJXQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-11(2)13(12(3)8-10)9-15(17)14(16)5-6-18-4/h7-8,14H,5-6,9,16H2,1-4H3.
What are the key properties of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one is sourced from PubChem (CID 116567372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).