3-(4-ethylphenyl)azepane

C14H21N — CID 83819662

IUPAC3-(4-ethylphenyl)azepane
SMILESCCc1ccc(C2CCCCNC2)cc1
InChIInChI=1S/C14H21N/c1-2-12-6-8-13(9-7-12)14-5-3-4-10-15-11-14/h6-9,14-15H,2-5,10-11H2,1H3
InChIKeyRBVGCLLILHPJMA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.11
Rot. Bonds2

About 3-(4-ethylphenyl)azepane

3-(4-ethylphenyl)azepane (PubChem CID 83819662) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(4-ethylphenyl)azepane.

Molecular Properties

Compound Name3-(4-ethylphenyl)azepane
PubChem CID83819662
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-(4-ethylphenyl)azepane
SMILESCCc1ccc(C2CCCCNC2)cc1
InChIInChI=1S/C14H21N/c1-2-12-6-8-13(9-7-12)14-5-3-4-10-15-11-14/h6-9,14-15H,2-5,10-11H2,1H3
InChIKeyRBVGCLLILHPJMA-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-ethylphenyl)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

N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235
N-(4-ethylphenyl)-N-methylazepan-3-amine
CID 113229558
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
CID 117336989
3-[4-(2-methoxypropyl)phenyl]piperidine
CID 117339182
3-(4-tert-butylphenyl)piperidine
CID 24904200
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
4-(4-ethylphenyl)-3-methylpiperidine
CID 66279272

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)azepane?
The IUPAC name of 3-(4-ethylphenyl)azepane (CID 83819662) is 3-(4-ethylphenyl)azepane.
What is the SMILES notation for 3-(4-ethylphenyl)azepane?
The canonical SMILES for 3-(4-ethylphenyl)azepane is CCc1ccc(C2CCCCNC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)azepane?
The InChIKey is RBVGCLLILHPJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-12-6-8-13(9-7-12)14-5-3-4-10-15-11-14/h6-9,14-15H,2-5,10-11H2,1H3.
What are the key properties of 3-(4-ethylphenyl)azepane?
3-(4-ethylphenyl)azepane has a molecular weight of 203.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)azepane is sourced from PubChem (CID 83819662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).