3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one

C15H23NO3 — CID 116573635

IUPAC3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C(C)(C)N)cc1OC
InChIInChI=1S/C15H23NO3/c1-14(2,15(3,4)16)13(17)10-7-8-11(18-5)12(9-10)19-6/h7-9H,16H2,1-6H3
InChIKeyLZFMVEFYHPTZJU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.65
Rot. Bonds5

About 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one

3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one (PubChem CID 116573635) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one
PubChem CID116573635
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C(C)(C)N)cc1OC
InChIInChI=1S/C15H23NO3/c1-14(2,15(3,4)16)13(17)10-7-8-11(18-5)12(9-10)19-6/h7-9H,16H2,1-6H3
InChIKeyLZFMVEFYHPTZJU-UHFFFAOYSA-N
XLogP2.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one?
The IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one (CID 116573635) is 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one is COc1ccc(C(=O)C(C)(C)C(C)(C)N)cc1OC.
What is the InChIKey of 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one?
The InChIKey is LZFMVEFYHPTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-14(2,15(3,4)16)13(17)10-7-8-11(18-5)12(9-10)19-6/h7-9H,16H2,1-6H3.
What are the key properties of 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one?
3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 116573635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).