[(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium

C14H26N2O+2 — CID 9160917

IUPAC[(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium
SMILESCCOc1ccc([C@H](C[NH3+])[NH+](CC)CC)cc1
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)14(11-15)12-7-9-13(10-8-12)17-6-3/h7-10,14H,4-6,11,15H2,1-3H3/p+2/t14-/m0/s1
InChIKeyQBQSTCHOUOHXHS-AWEZNQCLSA-P
MW238.38 g/mol
LogP0.29
Rot. Bonds7

About [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium

[(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium (PubChem CID 9160917) has the molecular formula C14H26N2O+2 and a molecular weight of 238.38 g/mol. Its IUPAC name is [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium.

Molecular Properties

Compound Name[(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium
PubChem CID9160917
Molecular FormulaC14H26N2O+2
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name[(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium
SMILESCCOc1ccc([C@H](C[NH3+])[NH+](CC)CC)cc1
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)14(11-15)12-7-9-13(10-8-12)17-6-3/h7-10,14H,4-6,11,15H2,1-3H3/p+2/t14-/m0/s1
InChIKeyQBQSTCHOUOHXHS-AWEZNQCLSA-P
XLogP0.29
TPSA41.31 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
[3-carboxy-2-(4-ethoxyphenyl)propyl]azanium chloride
CID 44667842
amino-(4-ethoxyphenyl)methanol
CID 116939610
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
CID 130239212
2-(4-ethoxyphenyl)propanedial
CID 3698706
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
4-[(4-aminophenyl)-(4-ethoxyphenyl)methyl]aniline
CID 59136500
(5R)-5-azaniumyl-5-(4-ethoxyphenyl)pentanoate
CID 28931195
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium?
The IUPAC name of [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium (CID 9160917) is [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium.
What is the SMILES notation for [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium?
The canonical SMILES for [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium is CCOc1ccc([C@H](C[NH3+])[NH+](CC)CC)cc1.
What is the InChIKey of [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium?
The InChIKey is QBQSTCHOUOHXHS-AWEZNQCLSA-P. The full InChI is InChI=1S/C14H24N2O/c1-4-16(5-2)14(11-15)12-7-9-13(10-8-12)17-6-3/h7-10,14H,4-6,11,15H2,1-3H3/p+2/t14-/m0/s1.
What are the key properties of [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium?
[(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium has a molecular weight of 238.38 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-azaniumyl-1-(4-ethoxyphenyl)ethyl]-diethylazanium is sourced from PubChem (CID 9160917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).