2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol

C14H23NO2 — CID 115216434

IUPAC2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
SMILESCOc1cc(C)cc(C)c1CCN(C)CCO
InChIInChI=1S/C14H23NO2/c1-11-9-12(2)13(14(10-11)17-4)5-6-15(3)7-8-16/h9-10,16H,5-8H2,1-4H3
InChIKeyLMLTUQOWSNEEPY-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol

2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol (PubChem CID 115216434) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
PubChem CID115216434
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
SMILESCOc1cc(C)cc(C)c1CCN(C)CCO
InChIInChI=1S/C14H23NO2/c1-11-9-12(2)13(14(10-11)17-4)5-6-15(3)7-8-16/h9-10,16H,5-8H2,1-4H3
InChIKeyLMLTUQOWSNEEPY-UHFFFAOYSA-N
XLogP1.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
CID 115190817
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134261
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115261264
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231844
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 112683473

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol (CID 115216434) is 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol is COc1cc(C)cc(C)c1CCN(C)CCO.
What is the InChIKey of 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol?
The InChIKey is LMLTUQOWSNEEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-9-12(2)13(14(10-11)17-4)5-6-15(3)7-8-16/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol?
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol is sourced from PubChem (CID 115216434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).