2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine

C16H25NO2 — CID 104748373

IUPAC2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COc1ccc(C)cc1C)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-4-17-15(14-7-8-18-10-14)11-19-16-6-5-12(2)9-13(16)3/h5-6,9,14-15,17H,4,7-8,10-11H2,1-3H3
InChIKeyCUKNHUWWKZDYTH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104748373) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID104748373
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COc1ccc(C)cc1C)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-4-17-15(14-7-8-18-10-14)11-19-16-6-5-12(2)9-13(16)3/h5-6,9,14-15,17H,4,7-8,10-11H2,1-3H3
InChIKeyCUKNHUWWKZDYTH-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 107657188
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276602
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102981002
1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 104748853
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 104748373) is 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(COc1ccc(C)cc1C)C1CCOC1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is CUKNHUWWKZDYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-15(14-7-8-18-10-14)11-19-16-6-5-12(2)9-13(16)3/h5-6,9,14-15,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).