2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol

C12H19NO2 — CID 116859297

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H19NO2/c1-8-5-10(11(7-14)13-3)6-9(2)12(8)15-4/h5-6,11,13-14H,7H2,1-4H3
InChIKeyNNZXSQOKTORJHS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol

2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol (PubChem CID 116859297) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
PubChem CID116859297
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H19NO2/c1-8-5-10(11(7-14)13-3)6-9(2)12(8)15-4/h5-6,11,13-14H,7H2,1-4H3
InChIKeyNNZXSQOKTORJHS-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
3-(4-methoxy-3,5-dimethylphenyl)-3-(methylamino)propane-1-thiol
CID 116831472
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
5-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzene-1,3-diol
CID 55276021
5-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzene-1,2,3-triol
CID 55276777
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol (CID 116859297) is 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol is CNC(CO)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol?
The InChIKey is NNZXSQOKTORJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-10(11(7-14)13-3)6-9(2)12(8)15-4/h5-6,11,13-14H,7H2,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol?
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 116859297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).