3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol

C13H21NO3 — CID 117351342

IUPAC3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
SMILESCNCC(O)c1cc(C(C)C)cc(O)c1OC
InChIInChI=1S/C13H21NO3/c1-8(2)9-5-10(12(16)7-14-3)13(17-4)11(15)6-9/h5-6,8,12,14-16H,7H2,1-4H3
InChIKeyQWAKIPKLIQGOOJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.78
Rot. Bonds5

About 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol

3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol (PubChem CID 117351342) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol.

Molecular Properties

Compound Name3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
PubChem CID117351342
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
SMILESCNCC(O)c1cc(C(C)C)cc(O)c1OC
InChIInChI=1S/C13H21NO3/c1-8(2)9-5-10(12(16)7-14-3)13(17-4)11(15)6-9/h5-6,8,12,14-16H,7H2,1-4H3
InChIKeyQWAKIPKLIQGOOJ-UHFFFAOYSA-N
XLogP1.78
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117468684
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359832
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
3-[1-hydroxy-2-(methylamino)ethyl]-4,5-dimethoxybenzaldehyde
CID 117350635
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
CID 117381815

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol?
The IUPAC name of 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol (CID 117351342) is 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol.
What is the SMILES notation for 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol?
The canonical SMILES for 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol is CNCC(O)c1cc(C(C)C)cc(O)c1OC.
What is the InChIKey of 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol?
The InChIKey is QWAKIPKLIQGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8(2)9-5-10(12(16)7-14-3)13(17-4)11(15)6-9/h5-6,8,12,14-16H,7H2,1-4H3.
What are the key properties of 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol?
3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol has a molecular weight of 239.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol is sourced from PubChem (CID 117351342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).