1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one

C16H25NO2 — CID 115235168

IUPAC1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
SMILESCOc1cc(C(C)C)ccc1CCN(C)CC(C)=O
InChIInChI=1S/C16H25NO2/c1-12(2)15-7-6-14(16(10-15)19-5)8-9-17(4)11-13(3)18/h6-7,10,12H,8-9,11H2,1-5H3
InChIKeyLSXAIYNMWPACJU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds7

About 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one

1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one (PubChem CID 115235168) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
PubChem CID115235168
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
SMILESCOc1cc(C(C)C)ccc1CCN(C)CC(C)=O
InChIInChI=1S/C16H25NO2/c1-12(2)15-7-6-14(16(10-15)19-5)8-9-17(4)11-13(3)18/h6-7,10,12H,8-9,11H2,1-5H3
InChIKeyLSXAIYNMWPACJU-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
CID 115235176
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-(bromomethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115262362
N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
CID 115258703
1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
CID 110789543
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115261259
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151969

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one?
The IUPAC name of 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one (CID 115235168) is 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one.
What is the SMILES notation for 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one?
The canonical SMILES for 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one is COc1cc(C(C)C)ccc1CCN(C)CC(C)=O.
What is the InChIKey of 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one?
The InChIKey is LSXAIYNMWPACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)15-7-6-14(16(10-15)19-5)8-9-17(4)11-13(3)18/h6-7,10,12H,8-9,11H2,1-5H3.
What are the key properties of 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one?
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one is sourced from PubChem (CID 115235168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).