diethyl-[5-(4-fluorophenoxy)pentyl]azanium

C15H25FNO+ — CID 2248117

IUPACdiethyl-[5-(4-fluorophenoxy)pentyl]azanium
SMILESCC[NH+](CC)CCCCCOc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-17(4-2)12-6-5-7-13-18-15-10-8-14(16)9-11-15/h8-11H,3-7,12-13H2,1-2H3/p+1
InChIKeyQBPXTPVYAXWZMX-UHFFFAOYSA-O
MW254.37 g/mol
LogP2.30
Rot. Bonds9

About diethyl-[5-(4-fluorophenoxy)pentyl]azanium

diethyl-[5-(4-fluorophenoxy)pentyl]azanium (PubChem CID 2248117) has the molecular formula C15H25FNO+ and a molecular weight of 254.37 g/mol. Its IUPAC name is diethyl-[5-(4-fluorophenoxy)pentyl]azanium.

Molecular Properties

Compound Namediethyl-[5-(4-fluorophenoxy)pentyl]azanium
PubChem CID2248117
Molecular FormulaC15H25FNO+
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namediethyl-[5-(4-fluorophenoxy)pentyl]azanium
SMILESCC[NH+](CC)CCCCCOc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-17(4-2)12-6-5-7-13-18-15-10-8-14(16)9-11-15/h8-11H,3-7,12-13H2,1-2H3/p+1
InChIKeyQBPXTPVYAXWZMX-UHFFFAOYSA-O
XLogP2.30
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

diethyl(6-phenoxyhexyl)azanium
CID 2057301
3-(4-bromophenoxy)propyl-diethylazanium
CID 2057944
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
butyl-[4-(4-fluorophenoxy)butyl]azanium
CID 2249066
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
diethyl-[4-(3-phenoxyphenoxy)butyl]azanium
CID 2232638
3-(4-fluorophenoxy)propylazanium
CID 42036216
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471

Frequently Asked Questions

What is the IUPAC name of diethyl-[5-(4-fluorophenoxy)pentyl]azanium?
The IUPAC name of diethyl-[5-(4-fluorophenoxy)pentyl]azanium (CID 2248117) is diethyl-[5-(4-fluorophenoxy)pentyl]azanium.
What is the SMILES notation for diethyl-[5-(4-fluorophenoxy)pentyl]azanium?
The canonical SMILES for diethyl-[5-(4-fluorophenoxy)pentyl]azanium is CC[NH+](CC)CCCCCOc1ccc(F)cc1.
What is the InChIKey of diethyl-[5-(4-fluorophenoxy)pentyl]azanium?
The InChIKey is QBPXTPVYAXWZMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24FNO/c1-3-17(4-2)12-6-5-7-13-18-15-10-8-14(16)9-11-15/h8-11H,3-7,12-13H2,1-2H3/p+1.
What are the key properties of diethyl-[5-(4-fluorophenoxy)pentyl]azanium?
diethyl-[5-(4-fluorophenoxy)pentyl]azanium has a molecular weight of 254.37 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[5-(4-fluorophenoxy)pentyl]azanium is sourced from PubChem (CID 2248117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).