2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine

C15H23NO2 — CID 104674620

IUPAC2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
SMILESCNC1CC(Oc2c(C)ccc(C)c2C)C1OC
InChIInChI=1S/C15H23NO2/c1-9-6-7-10(2)14(11(9)3)18-13-8-12(16-4)15(13)17-5/h6-7,12-13,15-16H,8H2,1-5H3
InChIKeyXKYVVWBIOXDAEB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.37
Rot. Bonds4

About 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine

2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine (PubChem CID 104674620) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
PubChem CID104674620
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
SMILESCNC1CC(Oc2c(C)ccc(C)c2C)C1OC
InChIInChI=1S/C15H23NO2/c1-9-6-7-10(2)14(11(9)3)18-13-8-12(16-4)15(13)17-5/h6-7,12-13,15-16H,8H2,1-5H3
InChIKeyXKYVVWBIOXDAEB-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine (CID 104674620) is 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine is CNC1CC(Oc2c(C)ccc(C)c2C)C1OC.
What is the InChIKey of 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
The InChIKey is XKYVVWBIOXDAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-6-7-10(2)14(11(9)3)18-13-8-12(16-4)15(13)17-5/h6-7,12-13,15-16H,8H2,1-5H3.
What are the key properties of 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104674620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).