N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine

C16H25NO2 — CID 104749198

IUPACN-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
SMILESCNC(COc1c(C)cc(C)cc1C)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)16(13(3)8-11)19-10-15(17-4)14-5-6-18-9-14/h7-8,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyUNAMIMPYBPHLNF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine

N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine (PubChem CID 104749198) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
PubChem CID104749198
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
SMILESCNC(COc1c(C)cc(C)cc1C)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)16(13(3)8-11)19-10-15(17-4)14-5-6-18-9-14/h7-8,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyUNAMIMPYBPHLNF-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 113449299
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102981002
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 63563049
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
CID 104748617
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
CID 104748707

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine (CID 104749198) is N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine is CNC(COc1c(C)cc(C)cc1C)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine?
The InChIKey is UNAMIMPYBPHLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-12(2)16(13(3)8-11)19-10-15(17-4)14-5-6-18-9-14/h7-8,14-15,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine is sourced from PubChem (CID 104749198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).