1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one

C15H23NO2 — CID 61427717

IUPAC1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
SMILESCOCCN(C)C(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(2)14(10-11)15(17)13(3)16(4)8-9-18-5/h6-7,10,13H,8-9H2,1-5H3
InChIKeyHEYBCWIBEKLVQT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one

1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one (PubChem CID 61427717) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
PubChem CID61427717
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
SMILESCOCCN(C)C(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(2)14(10-11)15(17)13(3)16(4)8-9-18-5/h6-7,10,13H,8-9H2,1-5H3
InChIKeyHEYBCWIBEKLVQT-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
CID 97190981
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
CID 116594205
1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
CID 62035271
2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604
1-(2,5-dimethylphenyl)-2-(3-methoxypropylsulfonyl)propan-1-one
CID 64636016
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79310466
1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63837669
3-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]butanenitrile
CID 63223033
1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
CID 103178860

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one (CID 61427717) is 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one is COCCN(C)C(C)C(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one?
The InChIKey is HEYBCWIBEKLVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-12(2)14(10-11)15(17)13(3)16(4)8-9-18-5/h6-7,10,13H,8-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one?
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 61427717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).