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

C15H23NO2 — CID 104748375

IUPAC2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COc1ccc(C)cc1C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-15(12(2)8-11)18-10-14(16-3)13-6-7-17-9-13/h4-5,8,13-14,16H,6-7,9-10H2,1-3H3
InChIKeyRWKGSVJLFUDKEZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.31
Rot. Bonds5

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

2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104748375) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104748375
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COc1ccc(C)cc1C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-15(12(2)8-11)18-10-14(16-3)13-6-7-17-9-13/h4-5,8,13-14,16H,6-7,9-10H2,1-3H3
InChIKeyRWKGSVJLFUDKEZ-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102981002
N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
CID 104748617
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104748375) is 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(COc1ccc(C)cc1C)C1CCOC1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is RWKGSVJLFUDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-5-15(12(2)8-11)18-10-14(16-3)13-6-7-17-9-13/h4-5,8,13-14,16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.31, 5 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-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).