triethyl(2-naphthalen-2-yloxyethyl)azanium bromide

C18H26BrNO — CID 12889861

IUPACtriethyl(2-naphthalen-2-yloxyethyl)azanium bromide
SMILESCC[N+](CC)(CC)CCOc1ccc2ccccc2c1.[Br-]
InChIInChI=1S/C18H26NO.BrH/c1-4-19(5-2,6-3)13-14-20-18-12-11-16-9-7-8-10-17(16)15-18;/h7-12,15H,4-6,13-14H2,1-3H3;1H/q+1;/p-1
InChIKeyULORVPDIUYVPTC-UHFFFAOYSA-M
MW352.32 g/mol
LogP1.10
Rot. Bonds7

About triethyl(2-naphthalen-2-yloxyethyl)azanium bromide

triethyl(2-naphthalen-2-yloxyethyl)azanium bromide (PubChem CID 12889861) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is triethyl(2-naphthalen-2-yloxyethyl)azanium bromide.

Molecular Properties

Compound Nametriethyl(2-naphthalen-2-yloxyethyl)azanium bromide
PubChem CID12889861
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Nametriethyl(2-naphthalen-2-yloxyethyl)azanium bromide
SMILESCC[N+](CC)(CC)CCOc1ccc2ccccc2c1.[Br-]
InChIInChI=1S/C18H26NO.BrH/c1-4-19(5-2,6-3)13-14-20-18-12-11-16-9-7-8-10-17(16)15-18;/h7-12,15H,4-6,13-14H2,1-3H3;1H/q+1;/p-1
InChIKeyULORVPDIUYVPTC-UHFFFAOYSA-M
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
CID 6604856
2-ethoxynaphthalene
CID 118978197
triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium
CID 176732152
triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732614
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
triethyl-[2-[4-[1,2,2-tris[4-[2-(triethylazaniumyl)ethoxy]phenyl]ethenyl]phenoxy]ethyl]azanium
CID 44611206
ethoxyethane;2-ethoxynaphthalene
CID 118982387
triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
CID 57258749
triethyl(12-phenoxydodecyl)azanium bromide
CID 42631033
1-(2-naphthalen-2-yloxyethyl)pyrrole
CID 82083884
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118

Frequently Asked Questions

What is the IUPAC name of triethyl(2-naphthalen-2-yloxyethyl)azanium bromide?
The IUPAC name of triethyl(2-naphthalen-2-yloxyethyl)azanium bromide (CID 12889861) is triethyl(2-naphthalen-2-yloxyethyl)azanium bromide.
What is the SMILES notation for triethyl(2-naphthalen-2-yloxyethyl)azanium bromide?
The canonical SMILES for triethyl(2-naphthalen-2-yloxyethyl)azanium bromide is CC[N+](CC)(CC)CCOc1ccc2ccccc2c1.[Br-].
What is the InChIKey of triethyl(2-naphthalen-2-yloxyethyl)azanium bromide?
The InChIKey is ULORVPDIUYVPTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26NO.BrH/c1-4-19(5-2,6-3)13-14-20-18-12-11-16-9-7-8-10-17(16)15-18;/h7-12,15H,4-6,13-14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triethyl(2-naphthalen-2-yloxyethyl)azanium bromide?
triethyl(2-naphthalen-2-yloxyethyl)azanium bromide has a molecular weight of 352.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-naphthalen-2-yloxyethyl)azanium bromide is sourced from PubChem (CID 12889861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).