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

C15H23NO2 — CID 116916007

IUPAC4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
SMILESCOc1c(C)cc(C(=O)C(C)CCN)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-9(6-7-16)14(17)13-8-10(2)15(18-5)12(4)11(13)3/h8-9H,6-7,16H2,1-5H3
InChIKeyCBXKCMRXENNSEW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds5

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

4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one (PubChem CID 116916007) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
PubChem CID116916007
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
SMILESCOc1c(C)cc(C(=O)C(C)CCN)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-9(6-7-16)14(17)13-8-10(2)15(18-5)12(4)11(13)3/h8-9H,6-7,16H2,1-5H3
InChIKeyCBXKCMRXENNSEW-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 116916071
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
CID 96675991
2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82053775
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
2-(4-methoxy-2,3,5-trimethylphenyl)-2-oxoacetic acid
CID 82286864
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
4-amino-1-(5-bromo-2-methylphenyl)-2-methylbutan-1-one
CID 116916047
4-methoxy-N',2,3,5-tetramethylbenzohydrazide
CID 116846887
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one (CID 116916007) is 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one is COc1c(C)cc(C(=O)C(C)CCN)c(C)c1C.
What is the InChIKey of 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one?
The InChIKey is CBXKCMRXENNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9(6-7-16)14(17)13-8-10(2)15(18-5)12(4)11(13)3/h8-9H,6-7,16H2,1-5H3.
What are the key properties of 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one?
4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116916007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).