2-methyl-2-(2-phenylethyl)azepane

C15H23N — CID 79118526

IUPAC2-methyl-2-(2-phenylethyl)azepane
SMILESCC1(CCc2ccccc2)CCCCCN1
InChIInChI=1S/C15H23N/c1-15(11-6-3-7-13-16-15)12-10-14-8-4-2-5-9-14/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3
InChIKeyWCECJLPVQWEZJR-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-2-(2-phenylethyl)azepane

2-methyl-2-(2-phenylethyl)azepane (PubChem CID 79118526) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethyl)azepane.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethyl)azepane
PubChem CID79118526
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-2-(2-phenylethyl)azepane
SMILESCC1(CCc2ccccc2)CCCCCN1
InChIInChI=1S/C15H23N/c1-15(11-6-3-7-13-16-15)12-10-14-8-4-2-5-9-14/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3
InChIKeyWCECJLPVQWEZJR-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-(2-phenylethyl)azepane 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-methyl-2-(2-phenylethyl)azepane?
The IUPAC name of 2-methyl-2-(2-phenylethyl)azepane (CID 79118526) is 2-methyl-2-(2-phenylethyl)azepane.
What is the SMILES notation for 2-methyl-2-(2-phenylethyl)azepane?
The canonical SMILES for 2-methyl-2-(2-phenylethyl)azepane is CC1(CCc2ccccc2)CCCCCN1.
What is the InChIKey of 2-methyl-2-(2-phenylethyl)azepane?
The InChIKey is WCECJLPVQWEZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(11-6-3-7-13-16-15)12-10-14-8-4-2-5-9-14/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3.
What are the key properties of 2-methyl-2-(2-phenylethyl)azepane?
2-methyl-2-(2-phenylethyl)azepane has a molecular weight of 217.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethyl)azepane is sourced from PubChem (CID 79118526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).