4-(4-propoxyphenoxy)azepane

C15H23NO2 — CID 63904480

IUPAC4-(4-propoxyphenoxy)azepane
SMILESCCCOc1ccc(OC2CCCNCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-12-17-13-5-7-15(8-6-13)18-14-4-3-10-16-11-9-14/h5-8,14,16H,2-4,9-12H2,1H3
InChIKeyKBTSUOXGRHCTFT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.00
Rot. Bonds5

About 4-(4-propoxyphenoxy)azepane

4-(4-propoxyphenoxy)azepane (PubChem CID 63904480) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(4-propoxyphenoxy)azepane.

Molecular Properties

Compound Name4-(4-propoxyphenoxy)azepane
PubChem CID63904480
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(4-propoxyphenoxy)azepane
SMILESCCCOc1ccc(OC2CCCNCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-12-17-13-5-7-15(8-6-13)18-14-4-3-10-16-11-9-14/h5-8,14,16H,2-4,9-12H2,1H3
InChIKeyKBTSUOXGRHCTFT-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propoxyphenoxy)piperidine
CID 53409332
4-(4-chlorophenoxy)azepane
CID 63904264
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
4-[4-(trifluoromethyl)phenoxy]azepane
CID 63904061
4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
CID 123180187
4-(4-nitro-3-propoxyphenoxy)piperidine
CID 63678351
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
CID 66593025
4-(3,4-difluorophenoxy)azepane
CID 63904830
2-piperidin-4-yloxy-N-(4-propoxyphenyl)acetamide
CID 63876932

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenoxy)azepane?
The IUPAC name of 4-(4-propoxyphenoxy)azepane (CID 63904480) is 4-(4-propoxyphenoxy)azepane.
What is the SMILES notation for 4-(4-propoxyphenoxy)azepane?
The canonical SMILES for 4-(4-propoxyphenoxy)azepane is CCCOc1ccc(OC2CCCNCC2)cc1.
What is the InChIKey of 4-(4-propoxyphenoxy)azepane?
The InChIKey is KBTSUOXGRHCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-12-17-13-5-7-15(8-6-13)18-14-4-3-10-16-11-9-14/h5-8,14,16H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-propoxyphenoxy)azepane?
4-(4-propoxyphenoxy)azepane has a molecular weight of 249.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenoxy)azepane is sourced from PubChem (CID 63904480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).