1-[2-(4-methoxyphenoxy)ethyl]azepane

C15H23NO2 — CID 888209

IUPAC1-[2-(4-methoxyphenoxy)ethyl]azepane
SMILESCOc1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-14-6-8-15(9-7-14)18-13-12-16-10-4-2-3-5-11-16/h6-9H,2-5,10-13H2,1H3
InChIKeyGPRCEGMVBNCWNC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]azepane

1-[2-(4-methoxyphenoxy)ethyl]azepane (PubChem CID 888209) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]azepane.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]azepane
PubChem CID888209
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]azepane
SMILESCOc1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-14-6-8-15(9-7-14)18-13-12-16-10-4-2-3-5-11-16/h6-9H,2-5,10-13H2,1H3
InChIKeyGPRCEGMVBNCWNC-UHFFFAOYSA-N
XLogP2.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methoxyphenoxy)ethyl]azepane 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

1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol
CID 155813769
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]azepane?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]azepane (CID 888209) is 1-[2-(4-methoxyphenoxy)ethyl]azepane.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]azepane?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]azepane is COc1ccc(OCCN2CCCCCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]azepane?
The InChIKey is GPRCEGMVBNCWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-14-6-8-15(9-7-14)18-13-12-16-10-4-2-3-5-11-16/h6-9H,2-5,10-13H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]azepane?
1-[2-(4-methoxyphenoxy)ethyl]azepane has a molecular weight of 249.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]azepane is sourced from PubChem (CID 888209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).