1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol

C13H21NO4 — CID 117391377

IUPAC1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1c(OC)ccc(COC)c1OC
InChIInChI=1S/C13H21NO4/c1-14-7-10(15)12-11(17-3)6-5-9(8-16-2)13(12)18-4/h5-6,10,14-15H,7-8H2,1-4H3
InChIKeyZGTFJLCXDSSMKW-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.10
Rot. Bonds7

About 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol

1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol (PubChem CID 117391377) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol
PubChem CID117391377
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1c(OC)ccc(COC)c1OC
InChIInChI=1S/C13H21NO4/c1-14-7-10(15)12-11(17-3)6-5-9(8-16-2)13(12)18-4/h5-6,10,14-15H,7-8H2,1-4H3
InChIKeyZGTFJLCXDSSMKW-UHFFFAOYSA-N
XLogP1.10
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359836
1-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359829
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305499
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2-[2,6-dimethoxy-3-(methoxymethyl)phenyl]propan-2-ol
CID 117353557
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117424467
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359832
1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117320446
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol (CID 117391377) is 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1c(OC)ccc(COC)c1OC.
What is the InChIKey of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is ZGTFJLCXDSSMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-14-7-10(15)12-11(17-3)6-5-9(8-16-2)13(12)18-4/h5-6,10,14-15H,7-8H2,1-4H3.
What are the key properties of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 255.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117391377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).