2-(2-ethylphenyl)azepane;hydrochloride

C14H22ClN — CID 146193845

IUPAC2-(2-ethylphenyl)azepane;hydrochloride
SMILESCCc1ccccc1C1CCCCCN1.Cl
InChIInChI=1S/C14H21N.ClH/c1-2-12-8-5-6-9-13(12)14-10-4-3-7-11-15-14;/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3;1H
InChIKeyMUBDFEHJZFHTRZ-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.88
Rot. Bonds2

About 2-(2-ethylphenyl)azepane;hydrochloride

2-(2-ethylphenyl)azepane;hydrochloride (PubChem CID 146193845) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 2-(2-ethylphenyl)azepane;hydrochloride.

Molecular Properties

Compound Name2-(2-ethylphenyl)azepane;hydrochloride
PubChem CID146193845
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name2-(2-ethylphenyl)azepane;hydrochloride
SMILESCCc1ccccc1C1CCCCCN1.Cl
InChIInChI=1S/C14H21N.ClH/c1-2-12-8-5-6-9-13(12)14-10-4-3-7-11-15-14;/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3;1H
InChIKeyMUBDFEHJZFHTRZ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(2-piperidin-2-ylphenyl)methyl]piperidine
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(2S)-2-naphthalen-1-ylazepane
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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)azepane;hydrochloride?
The IUPAC name of 2-(2-ethylphenyl)azepane;hydrochloride (CID 146193845) is 2-(2-ethylphenyl)azepane;hydrochloride.
What is the SMILES notation for 2-(2-ethylphenyl)azepane;hydrochloride?
The canonical SMILES for 2-(2-ethylphenyl)azepane;hydrochloride is CCc1ccccc1C1CCCCCN1.Cl.
What is the InChIKey of 2-(2-ethylphenyl)azepane;hydrochloride?
The InChIKey is MUBDFEHJZFHTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-2-12-8-5-6-9-13(12)14-10-4-3-7-11-15-14;/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3;1H.
What are the key properties of 2-(2-ethylphenyl)azepane;hydrochloride?
2-(2-ethylphenyl)azepane;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)azepane;hydrochloride is sourced from PubChem (CID 146193845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).