4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol

C10H15NO3 — CID 21100

IUPAC4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
SMILESCNCC(O)c1ccc(O)c(OC)c1
InChIInChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3
InChIKeyJWJCTZKFYGDABJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.65
Rot. Bonds4

About 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol

4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol (PubChem CID 21100) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
PubChem CID21100
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
SMILESCNCC(O)c1ccc(O)c(OC)c1
InChIInChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3
InChIKeyJWJCTZKFYGDABJ-UHFFFAOYSA-N
XLogP0.65
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol (CID 21100) is 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol is CNCC(O)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol?
The InChIKey is JWJCTZKFYGDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3.
What are the key properties of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol?
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 21100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).