1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol

C11H17NO3 — CID 3084840

IUPAC1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-9(13)8-4-5-10(14-2)11(6-8)15-3/h4-6,9,12-13H,7H2,1-3H3
InChIKeyQSUCQAULQIAOEP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol

1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol (PubChem CID 3084840) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol
PubChem CID3084840
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-9(13)8-4-5-10(14-2)11(6-8)15-3/h4-6,9,12-13H,7H2,1-3H3
InChIKeyQSUCQAULQIAOEP-UHFFFAOYSA-N
XLogP0.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol (CID 3084840) is 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol?
The InChIKey is QSUCQAULQIAOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12-7-9(13)8-4-5-10(14-2)11(6-8)15-3/h4-6,9,12-13H,7H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol?
1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 3084840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).