3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol

C10H15NO2 — CID 130722281

IUPAC3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol
SMILESCN[C@@H](CO)c1cccc(O)c1C
InChIInChI=1S/C10H15NO2/c1-7-8(9(6-12)11-2)4-3-5-10(7)13/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1
InChIKeyOOUNXFJMXKNMJH-VIFPVBQESA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

About 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol

3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol (PubChem CID 130722281) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol.

Molecular Properties

Compound Name3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol
PubChem CID130722281
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol
SMILESCN[C@@H](CO)c1cccc(O)c1C
InChIInChI=1S/C10H15NO2/c1-7-8(9(6-12)11-2)4-3-5-10(7)13/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1
InChIKeyOOUNXFJMXKNMJH-VIFPVBQESA-N
XLogP0.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol?
The IUPAC name of 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol (CID 130722281) is 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol.
What is the SMILES notation for 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol?
The canonical SMILES for 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol is CN[C@@H](CO)c1cccc(O)c1C.
What is the InChIKey of 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol?
The InChIKey is OOUNXFJMXKNMJH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-8(9(6-12)11-2)4-3-5-10(7)13/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol?
3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol has a molecular weight of 181.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol is sourced from PubChem (CID 130722281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).