1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone

C14H21NO3 — CID 113475776

IUPAC1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N(C)C(C)(C)CO)c1C(C)=O
InChIInChI=1S/C14H21NO3/c1-10(17)13-11(7-6-8-12(13)18-5)15(4)14(2,3)9-16/h6-8,16H,9H2,1-5H3
InChIKeyVTJAYQNBJARMIL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds5

About 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone

1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone (PubChem CID 113475776) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone
PubChem CID113475776
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N(C)C(C)(C)CO)c1C(C)=O
InChIInChI=1S/C14H21NO3/c1-10(17)13-11(7-6-8-12(13)18-5)15(4)14(2,3)9-16/h6-8,16H,9H2,1-5H3
InChIKeyVTJAYQNBJARMIL-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
CID 113388829
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
CID 113388856
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
CID 116810027
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65247680

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone (CID 113475776) is 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone is COc1cccc(N(C)C(C)(C)CO)c1C(C)=O.
What is the InChIKey of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone?
The InChIKey is VTJAYQNBJARMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(17)13-11(7-6-8-12(13)18-5)15(4)14(2,3)9-16/h6-8,16H,9H2,1-5H3.
What are the key properties of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone?
1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone is sourced from PubChem (CID 113475776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).