4-(4-ethoxyphenoxy)-1,3-dimethylazepane

C16H25NO2 — CID 23339374

IUPAC4-(4-ethoxyphenoxy)-1,3-dimethylazepane
SMILESCCOc1ccc(OC2CCCN(C)CC2C)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-16-6-5-11-17(3)12-13(16)2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyYOPCEVJJDVXSDE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.19
Rot. Bonds4

About 4-(4-ethoxyphenoxy)-1,3-dimethylazepane

4-(4-ethoxyphenoxy)-1,3-dimethylazepane (PubChem CID 23339374) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-1,3-dimethylazepane.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-1,3-dimethylazepane
PubChem CID23339374
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(4-ethoxyphenoxy)-1,3-dimethylazepane
SMILESCCOc1ccc(OC2CCCN(C)CC2C)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-16-6-5-11-17(3)12-13(16)2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyYOPCEVJJDVXSDE-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylsulfanylphenoxy)-1,3-dimethylazepane
CID 23339165
[4-(1,3-dimethylazepan-4-yl)oxyphenyl] pentanoate
CID 23339175
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
6-(1,3-dimethylazepan-4-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 21287296
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
1,3-dimethyl-4-[(2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]azepane
CID 21287345
1-(4-ethoxyphenyl)-4,6-dimethyl-1,4-diazepane
CID 138551851
3-tert-butyl-6-(1,3-dimethylazepan-4-yl)oxychromen-4-one
CID 21287268
7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one
CID 21287332

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-1,3-dimethylazepane?
The IUPAC name of 4-(4-ethoxyphenoxy)-1,3-dimethylazepane (CID 23339374) is 4-(4-ethoxyphenoxy)-1,3-dimethylazepane.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-1,3-dimethylazepane?
The canonical SMILES for 4-(4-ethoxyphenoxy)-1,3-dimethylazepane is CCOc1ccc(OC2CCCN(C)CC2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-1,3-dimethylazepane?
The InChIKey is YOPCEVJJDVXSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-16-6-5-11-17(3)12-13(16)2/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenoxy)-1,3-dimethylazepane?
4-(4-ethoxyphenoxy)-1,3-dimethylazepane has a molecular weight of 263.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-1,3-dimethylazepane is sourced from PubChem (CID 23339374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).