1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine

C16H23NO2 — CID 138514194

IUPAC1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine
SMILESC=C(N)OC1CC(COc2ccc(C)c(C)c2C)C1
InChIInChI=1S/C16H23NO2/c1-10-5-6-16(12(3)11(10)2)18-9-14-7-15(8-14)19-13(4)17/h5-6,14-15H,4,7-9,17H2,1-3H3
InChIKeyNVCAKEFBXNEVRS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.22
Rot. Bonds5

About 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine

1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine (PubChem CID 138514194) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine.

Molecular Properties

Compound Name1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine
PubChem CID138514194
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine
SMILESC=C(N)OC1CC(COc2ccc(C)c(C)c2C)C1
InChIInChI=1S/C16H23NO2/c1-10-5-6-16(12(3)11(10)2)18-9-14-7-15(8-14)19-13(4)17/h5-6,14-15H,4,7-9,17H2,1-3H3
InChIKeyNVCAKEFBXNEVRS-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine 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 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine?
The IUPAC name of 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine (CID 138514194) is 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine.
What is the SMILES notation for 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine?
The canonical SMILES for 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine is C=C(N)OC1CC(COc2ccc(C)c(C)c2C)C1.
What is the InChIKey of 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine?
The InChIKey is NVCAKEFBXNEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-5-6-16(12(3)11(10)2)18-9-14-7-15(8-14)19-13(4)17/h5-6,14-15H,4,7-9,17H2,1-3H3.
What are the key properties of 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine?
1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine has a molecular weight of 261.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine is sourced from PubChem (CID 138514194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).