1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol

C13H21NO3 — CID 116810226

IUPAC1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1cccc(OC)c1C(O)CCN(C)C
InChIInChI=1S/C13H21NO3/c1-14(2)9-8-10(15)13-11(16-3)6-5-7-12(13)17-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyFVOHDSANXATTMI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.69
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol

1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 116810226) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID116810226
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1cccc(OC)c1C(O)CCN(C)C
InChIInChI=1S/C13H21NO3/c1-14(2)9-8-10(15)13-11(16-3)6-5-7-12(13)17-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyFVOHDSANXATTMI-UHFFFAOYSA-N
XLogP1.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554764
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
CID 115838559
1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
CID 116810152
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol
CID 106674262
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol (CID 116810226) is 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol is COc1cccc(OC)c1C(O)CCN(C)C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is FVOHDSANXATTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(2)9-8-10(15)13-11(16-3)6-5-7-12(13)17-4/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 116810226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).