1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one

C15H23NO3 — CID 115235176

IUPAC1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
SMILESCOc1cc(C)c(CCN(C)CC(C)=O)cc1OC
InChIInChI=1S/C15H23NO3/c1-11-8-14(18-4)15(19-5)9-13(11)6-7-16(3)10-12(2)17/h8-9H,6-7,10H2,1-5H3
InChIKeyYVOPFKRGOSPOJU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.08
Rot. Bonds7

About 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one

1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one (PubChem CID 115235176) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
PubChem CID115235176
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
SMILESCOc1cc(C)c(CCN(C)CC(C)=O)cc1OC
InChIInChI=1S/C15H23NO3/c1-11-8-14(18-4)15(19-5)9-13(11)6-7-16(3)10-12(2)17/h8-9H,6-7,10H2,1-5H3
InChIKeyYVOPFKRGOSPOJU-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194111
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
CID 115235166
2-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]ethanethiol
CID 115224385
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170407
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde
CID 115223365
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(chloromethyl)-N-methylethanamine
CID 115263511

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one?
The IUPAC name of 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one (CID 115235176) is 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one.
What is the SMILES notation for 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one?
The canonical SMILES for 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one is COc1cc(C)c(CCN(C)CC(C)=O)cc1OC.
What is the InChIKey of 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one?
The InChIKey is YVOPFKRGOSPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-8-14(18-4)15(19-5)9-13(11)6-7-16(3)10-12(2)17/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one?
1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one has a molecular weight of 265.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one is sourced from PubChem (CID 115235176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).