2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine

C16H25NO2 — CID 91835966

IUPAC2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCc1ccc(OCCN(C)CC2(C)COC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-5-6-15(14(2)9-13)19-8-7-17(4)10-16(3)11-18-12-16/h5-6,9H,7-8,10-12H2,1-4H3
InChIKeyWERKSQZDOUOPAK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.65
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine

2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine (PubChem CID 91835966) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
PubChem CID91835966
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCc1ccc(OCCN(C)CC2(C)COC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-5-6-15(14(2)9-13)19-8-7-17(4)10-16(3)11-18-12-16/h5-6,9H,7-8,10-12H2,1-4H3
InChIKeyWERKSQZDOUOPAK-UHFFFAOYSA-N
XLogP2.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine (CID 91835966) is 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine is Cc1ccc(OCCN(C)CC2(C)COC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The InChIKey is WERKSQZDOUOPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-5-6-15(14(2)9-13)19-8-7-17(4)10-16(3)11-18-12-16/h5-6,9H,7-8,10-12H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 91835966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).