2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one

C16H25NO2 — CID 113438216

IUPAC2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(CC)N(C)C
InChIInChI=1S/C16H25NO2/c1-6-12-19-14-11-9-8-10-13(14)15(18)16(3,7-2)17(4)5/h8-11H,6-7,12H2,1-5H3
InChIKeyVSWYAEKLASADDU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.39
Rot. Bonds7

About 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one

2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one (PubChem CID 113438216) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
PubChem CID113438216
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(CC)N(C)C
InChIInChI=1S/C16H25NO2/c1-6-12-19-14-11-9-8-10-13(14)15(18)16(3,7-2)17(4)5/h8-11H,6-7,12H2,1-5H3
InChIKeyVSWYAEKLASADDU-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
CID 104659341
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907
2,2-dimethylpropanoyl 2-propoxybenzoate
CID 174763855
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
phenyl-(2-propoxyphenyl)methanone
CID 15556308
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2,2,2-trifluoro-1-(2-hexoxyphenyl)ethanone
CID 83952477
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
2-propoxy-N-propylbenzamide
CID 58831728
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one (CID 113438216) is 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one is CCCOc1ccccc1C(=O)C(C)(CC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
The InChIKey is VSWYAEKLASADDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-12-19-14-11-9-8-10-13(14)15(18)16(3,7-2)17(4)5/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one is sourced from PubChem (CID 113438216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).