1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol

C13H21NO2 — CID 117320446

IUPAC1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(OC)c1C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)13-10(11(15)8-14-3)6-5-7-12(13)16-4/h5-7,9,11,14-15H,8H2,1-4H3
InChIKeyOSJUSRGXFBLJDA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds5

About 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol

1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol (PubChem CID 117320446) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
PubChem CID117320446
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(OC)c1C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)13-10(11(15)8-14-3)6-5-7-12(13)16-4/h5-7,9,11,14-15H,8H2,1-4H3
InChIKeyOSJUSRGXFBLJDA-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
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
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
CID 82623850
1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
CID 82278890
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
2-(2-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 117243856
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol (CID 117320446) is 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cccc(OC)c1C(C)C.
What is the InChIKey of 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
The InChIKey is OSJUSRGXFBLJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)13-10(11(15)8-14-3)6-5-7-12(13)16-4/h5-7,9,11,14-15H,8H2,1-4H3.
What are the key properties of 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol?
1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117320446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).