dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride

C15H24ClNO2 — CID 67900173

IUPACdimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCOCCOc1ccccc1.[Cl-]
InChIInChI=1S/C15H24NO2.ClH/c1-4-10-16(2,3)11-12-17-13-14-18-15-8-6-5-7-9-15;/h4-9H,1,10-14H2,2-3H3;1H/q+1;/p-1
InChIKeyGQFAMTUTBLSHEQ-UHFFFAOYSA-M
MW285.81 g/mol
LogP-0.65
Rot. Bonds9

About dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride

dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride (PubChem CID 67900173) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride
PubChem CID67900173
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Namedimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCOCCOc1ccccc1.[Cl-]
InChIInChI=1S/C15H24NO2.ClH/c1-4-10-16(2,3)11-12-17-13-14-18-15-8-6-5-7-9-15;/h4-9H,1,10-14H2,2-3H3;1H/q+1;/p-1
InChIKeyGQFAMTUTBLSHEQ-UHFFFAOYSA-M
XLogP-0.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
CID 57258749
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
anisole;but-3-enoxybenzene
CID 174761838
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
(2,6-dimethyl-4-phenylheptan-4-yl)-dimethyl-[2-(2-phenoxyethoxy)ethyl]azanium
CID 57127528
benzyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 173433329
2-(2-phenoxyethoxy)ethyl formate
CID 88533287
2-pentoxyethoxybenzene
CID 54431229
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride?
The IUPAC name of dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride (CID 67900173) is dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride.
What is the SMILES notation for dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride?
The canonical SMILES for dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride is C=CC[N+](C)(C)CCOCCOc1ccccc1.[Cl-].
What is the InChIKey of dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride?
The InChIKey is GQFAMTUTBLSHEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24NO2.ClH/c1-4-10-16(2,3)11-12-17-13-14-18-15-8-6-5-7-9-15;/h4-9H,1,10-14H2,2-3H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride?
dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride has a molecular weight of 285.81 g/mol, XLogP of -0.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride is sourced from PubChem (CID 67900173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).