2-[2-(3-methoxyphenyl)ethyl]azepane

C15H23NO — CID 113443145

IUPAC2-[2-(3-methoxyphenyl)ethyl]azepane
SMILESCOc1cccc(CCC2CCCCCN2)c1
InChIInChI=1S/C15H23NO/c1-17-15-8-5-6-13(12-15)9-10-14-7-3-2-4-11-16-14/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3
InChIKeyLGRSVBJTUBVLDC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)ethyl]azepane

2-[2-(3-methoxyphenyl)ethyl]azepane (PubChem CID 113443145) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl]azepane.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl]azepane
PubChem CID113443145
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[2-(3-methoxyphenyl)ethyl]azepane
SMILESCOc1cccc(CCC2CCCCCN2)c1
InChIInChI=1S/C15H23NO/c1-17-15-8-5-6-13(12-15)9-10-14-7-3-2-4-11-16-14/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3
InChIKeyLGRSVBJTUBVLDC-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-methoxyphenyl)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

2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 107855920
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]azepane?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]azepane (CID 113443145) is 2-[2-(3-methoxyphenyl)ethyl]azepane.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl]azepane?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl]azepane is COc1cccc(CCC2CCCCCN2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl]azepane?
The InChIKey is LGRSVBJTUBVLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-15-8-5-6-13(12-15)9-10-14-7-3-2-4-11-16-14/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl]azepane?
2-[2-(3-methoxyphenyl)ethyl]azepane has a molecular weight of 233.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethyl]azepane is sourced from PubChem (CID 113443145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).