4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one

C15H23NO2 — CID 116613237

IUPAC4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
SMILESCNCCc1ccccc1C(=O)C(C)CCOC
InChIInChI=1S/C15H23NO2/c1-12(9-11-18-3)15(17)14-7-5-4-6-13(14)8-10-16-2/h4-7,12,16H,8-11H2,1-3H3
InChIKeyOKCOZPRLWXIOHG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.30
Rot. Bonds8

About 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one

4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one (PubChem CID 116613237) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
PubChem CID116613237
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
SMILESCNCCc1ccccc1C(=O)C(C)CCOC
InChIInChI=1S/C15H23NO2/c1-12(9-11-18-3)15(17)14-7-5-4-6-13(14)8-10-16-2/h4-7,12,16H,8-11H2,1-3H3
InChIKeyOKCOZPRLWXIOHG-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
2-[2-(methylamino)ethyl]benzamide
CID 69094527
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]hexan-1-one
CID 116613243
2-(2-methylpropoxy)ethyl 2-[2-(methylamino)ethyl]benzoate
CID 106448096
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-one
CID 115807583
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104548247

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
The IUPAC name of 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one (CID 116613237) is 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
The canonical SMILES for 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one is CNCCc1ccccc1C(=O)C(C)CCOC.
What is the InChIKey of 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
The InChIKey is OKCOZPRLWXIOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(9-11-18-3)15(17)14-7-5-4-6-13(14)8-10-16-2/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one?
4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one is sourced from PubChem (CID 116613237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).