diethyl-[6-(2-methoxyphenoxy)hexyl]azanium

C17H30NO2+ — CID 2304713

IUPACdiethyl-[6-(2-methoxyphenoxy)hexyl]azanium
SMILESCC[NH+](CC)CCCCCCOc1ccccc1OC
InChIInChI=1S/C17H29NO2/c1-4-18(5-2)14-10-6-7-11-15-20-17-13-9-8-12-16(17)19-3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3/p+1
InChIKeyKQNVLYAQFHRWTM-UHFFFAOYSA-O
MW280.43 g/mol
LogP2.56
Rot. Bonds11

About diethyl-[6-(2-methoxyphenoxy)hexyl]azanium

diethyl-[6-(2-methoxyphenoxy)hexyl]azanium (PubChem CID 2304713) has the molecular formula C17H30NO2+ and a molecular weight of 280.43 g/mol. Its IUPAC name is diethyl-[6-(2-methoxyphenoxy)hexyl]azanium.

Molecular Properties

Compound Namediethyl-[6-(2-methoxyphenoxy)hexyl]azanium
PubChem CID2304713
Molecular FormulaC17H30NO2+
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Namediethyl-[6-(2-methoxyphenoxy)hexyl]azanium
SMILESCC[NH+](CC)CCCCCCOc1ccccc1OC
InChIInChI=1S/C17H29NO2/c1-4-18(5-2)14-10-6-7-11-15-20-17-13-9-8-12-16(17)19-3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3/p+1
InChIKeyKQNVLYAQFHRWTM-UHFFFAOYSA-O
XLogP2.56
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
5-(2-chlorophenoxy)pentyl-diethylazanium
CID 2232789
diethyl(6-phenoxyhexyl)azanium
CID 2057301
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
diethyl-[3-(2-phenylphenoxy)propyl]azanium
CID 2296595
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
CID 5262106

Frequently Asked Questions

What is the IUPAC name of diethyl-[6-(2-methoxyphenoxy)hexyl]azanium?
The IUPAC name of diethyl-[6-(2-methoxyphenoxy)hexyl]azanium (CID 2304713) is diethyl-[6-(2-methoxyphenoxy)hexyl]azanium.
What is the SMILES notation for diethyl-[6-(2-methoxyphenoxy)hexyl]azanium?
The canonical SMILES for diethyl-[6-(2-methoxyphenoxy)hexyl]azanium is CC[NH+](CC)CCCCCCOc1ccccc1OC.
What is the InChIKey of diethyl-[6-(2-methoxyphenoxy)hexyl]azanium?
The InChIKey is KQNVLYAQFHRWTM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H29NO2/c1-4-18(5-2)14-10-6-7-11-15-20-17-13-9-8-12-16(17)19-3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3/p+1.
What are the key properties of diethyl-[6-(2-methoxyphenoxy)hexyl]azanium?
diethyl-[6-(2-methoxyphenoxy)hexyl]azanium has a molecular weight of 280.43 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[6-(2-methoxyphenoxy)hexyl]azanium is sourced from PubChem (CID 2304713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).