1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol

C14H23NO3 — CID 116911329

IUPAC1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
SMILESCOc1ccc(C(N(C)C)C(C)(C)O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-14(2,16)13(15(3)4)11-8-7-10(17-5)9-12(11)18-6/h7-9,13,16H,1-6H3
InChIKeyOBJKJKARRKRUIJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol

1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 116911329) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
PubChem CID116911329
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
SMILESCOc1ccc(C(N(C)C)C(C)(C)O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-14(2,16)13(15(3)4)11-8-7-10(17-5)9-12(11)18-6/h7-9,13,16H,1-6H3
InChIKeyOBJKJKARRKRUIJ-UHFFFAOYSA-N
XLogP2.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
CID 116908516
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064671
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914326
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 116713087
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79137198
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
(E)-4-(2,4-dimethoxyphenyl)-4-(dimethylamino)but-2-enoic acid
CID 116910737
2-(2,4-dimethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848082

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol (CID 116911329) is 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol is COc1ccc(C(N(C)C)C(C)(C)O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is OBJKJKARRKRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,16)13(15(3)4)11-8-7-10(17-5)9-12(11)18-6/h7-9,13,16H,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 116911329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).