1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one

C14H21NO3 — CID 116810027

IUPAC1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCOc1cccc(OC)c1C(=O)C(C)(C)N(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,15(3)4)13(16)12-10(17-5)8-7-9-11(12)18-6/h7-9H,1-6H3
InChIKeyPPJVPIXBBUXKJO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one

1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one (PubChem CID 116810027) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
PubChem CID116810027
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCOc1cccc(OC)c1C(=O)C(C)(C)N(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,15(3)4)13(16)12-10(17-5)8-7-9-11(12)18-6/h7-9H,1-6H3
InChIKeyPPJVPIXBBUXKJO-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116811573
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
1,3-bis(2,6-dimethoxyphenyl)-2-phenyl-2-phosphorosopropane-1,3-dione
CID 66687456
1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone
CID 113475776
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
N'-[3-[2-(2,6-dimethoxybenzoyl)-2-methylhydrazinyl]-3-sulfanylidenepropanethioyl]-2,6-dimethoxy-N-methylbenzohydrazide
CID 24901379
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
tert-butyl 2-methoxy-6-methylbenzoate
CID 122173281
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide
CID 106180680
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
acetyl 2,6-dimethoxybenzoate
CID 57154954

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one (CID 116810027) is 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one is COc1cccc(OC)c1C(=O)C(C)(C)N(C)C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The InChIKey is PPJVPIXBBUXKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,15(3)4)13(16)12-10(17-5)8-7-9-11(12)18-6/h7-9H,1-6H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 116810027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).