dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride

C20H36ClNO2 — CID 118296277

About dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride

dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride (PubChem CID 118296277) has the molecular formula C20H36ClNO2 and a molecular weight of 357.97 g/mol. Its IUPAC name is dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride.

Molecular Properties

• Compound Name: dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
• PubChem CID: 118296277
• Molecular Formula: C20H36ClNO2
• Molecular Weight: 357.97 g/mol
• Exact Mass: 357.24
• IUPAC Name: dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
• SMILES: C[NH+](C)CCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1.[Cl-]
• InChI: InChI=1S/C20H35NO2.ClH/c1-19(2,3)16-20(4,5)17-8-10-18(11-9-17)23-15-14-22-13-12-21(6)7;/h8-11H,12-16H2,1-7H3;1H
• InChIKey: UDWVJHFQSDRCQS-UHFFFAOYSA-N
• XLogP: -0.06
• TPSA: 22.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.97
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride?

The IUPAC name of dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride (CID 118296277) is dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride.

What is the SMILES notation for dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride?

The canonical SMILES for dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride is C[NH+](C)CCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1.[Cl-].

What is the InChIKey of dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride?

The InChIKey is UDWVJHFQSDRCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2.ClH/c1-19(2,3)16-20(4,5)17-8-10-18(11-9-17)23-15-14-22-13-12-21(6)7;/h8-11H,12-16H2,1-7H3;1H.

What are the key properties of dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride?

dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride has a molecular weight of 357.97 g/mol, XLogP of -0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride is sourced from PubChem (CID 118296277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).