1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol

C12H19NO3 — CID 117323942

IUPAC1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(OC)c1C
InChIInChI=1S/C12H19NO3/c1-8-9(10(14)7-13-2)5-6-11(15-3)12(8)16-4/h5-6,10,13-14H,7H2,1-4H3
InChIKeyLCYRXLURLKCHGF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.27
Rot. Bonds5

About 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol

1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol (PubChem CID 117323942) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
PubChem CID117323942
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(OC)c1C
InChIInChI=1S/C12H19NO3/c1-8-9(10(14)7-13-2)5-6-11(15-3)12(8)16-4/h5-6,10,13-14H,7H2,1-4H3
InChIKeyLCYRXLURLKCHGF-UHFFFAOYSA-N
XLogP1.27
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84810359
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
CID 82623850

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol (CID 117323942) is 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(OC)c(OC)c1C.
What is the InChIKey of 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is LCYRXLURLKCHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-9(10(14)7-13-2)5-6-11(15-3)12(8)16-4/h5-6,10,13-14H,7H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol?
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117323942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).