1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one

C15H23NO2 — CID 115235166

IUPAC1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
SMILESCOc1c(C)cc(C)cc1CCN(C)CC(C)=O
InChIInChI=1S/C15H23NO2/c1-11-8-12(2)15(18-5)14(9-11)6-7-16(4)10-13(3)17/h8-9H,6-7,10H2,1-5H3
InChIKeyFMOAVTYTJGICQQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.38
Rot. Bonds6

About 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one

1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one (PubChem CID 115235166) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
PubChem CID115235166
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
SMILESCOc1c(C)cc(C)cc1CCN(C)CC(C)=O
InChIInChI=1S/C15H23NO2/c1-11-8-12(2)15(18-5)14(9-11)6-7-16(4)10-13(3)17/h8-9H,6-7,10H2,1-5H3
InChIKeyFMOAVTYTJGICQQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259034
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
CID 115235176
2-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylamino]acetamide
CID 115260246
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one?
The IUPAC name of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one (CID 115235166) is 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one.
What is the SMILES notation for 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one?
The canonical SMILES for 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one is COc1c(C)cc(C)cc1CCN(C)CC(C)=O.
What is the InChIKey of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one?
The InChIKey is FMOAVTYTJGICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-12(2)15(18-5)14(9-11)6-7-16(4)10-13(3)17/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one?
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one is sourced from PubChem (CID 115235166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).