3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one

C13H19NO2 — CID 20547322

IUPAC3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one
SMILESCOC(C)(CN(C)C)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(16-4,10-14(2)3)12(15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeySPKBJIXNFYSPRX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds5

About 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one

3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one (PubChem CID 20547322) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one
PubChem CID20547322
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one
SMILESCOC(C)(CN(C)C)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(16-4,10-14(2)3)12(15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeySPKBJIXNFYSPRX-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
2-hydroxy-3-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 19878470
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
(2S,3R)-2-benzoyl-2,3-dihydroxy-3-methoxybutanedioic acid
CID 141050108
[1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydron;chloride
CID 67107729
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193750
2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
CID 101146953

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one (CID 20547322) is 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one is COC(C)(CN(C)C)C(=O)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is SPKBJIXNFYSPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(16-4,10-14(2)3)12(15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one?
3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 20547322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).