2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one

C16H25NO2 — CID 79053325

IUPAC2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccc(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-7-17(8-2)16(4,5)15(18)14-10-9-13(19-6)11-12(14)3/h9-11H,7-8H2,1-6H3
InChIKeyMMTIRZLAXISECQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds6

About 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one

2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one (PubChem CID 79053325) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one
PubChem CID79053325
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccc(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-7-17(8-2)16(4,5)15(18)14-10-9-13(19-6)11-12(14)3/h9-11H,7-8H2,1-6H3
InChIKeyMMTIRZLAXISECQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
CID 79053848
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-methoxy-2-methylphenyl)pentan-1-one
CID 146007229
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128345
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 19879504
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 79053644
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79053041
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 105084772

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one (CID 79053325) is 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1ccc(OC)cc1C.
What is the InChIKey of 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one?
The InChIKey is MMTIRZLAXISECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-17(8-2)16(4,5)15(18)14-10-9-13(19-6)11-12(14)3/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one?
2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 79053325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).