dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride

C19H24ClNO2 — CID 26542

IUPACdimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride
SMILESC[NH+](C)CCOC(=O)c1ccccc1CCc1ccccc1.[Cl-]
InChIInChI=1S/C19H23NO2.ClH/c1-20(2)14-15-22-19(21)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16;/h3-11H,12-15H2,1-2H3;1H
InChIKeyCDGCTSKZNMCTMH-UHFFFAOYSA-N
MW333.86 g/mol
LogP-1.22
Rot. Bonds7

About dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride

dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride (PubChem CID 26542) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride
PubChem CID26542
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Namedimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride
SMILESC[NH+](C)CCOC(=O)c1ccccc1CCc1ccccc1.[Cl-]
InChIInChI=1S/C19H23NO2.ClH/c1-20(2)14-15-22-19(21)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16;/h3-11H,12-15H2,1-2H3;1H
InChIKeyCDGCTSKZNMCTMH-UHFFFAOYSA-N
XLogP-1.22
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride?
The IUPAC name of dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride (CID 26542) is dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride is C[NH+](C)CCOC(=O)c1ccccc1CCc1ccccc1.[Cl-].
What is the InChIKey of dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride?
The InChIKey is CDGCTSKZNMCTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-20(2)14-15-22-19(21)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16;/h3-11H,12-15H2,1-2H3;1H.
What are the key properties of dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride?
dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride has a molecular weight of 333.86 g/mol, XLogP of -1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-(2-phenylethyl)benzoyl]oxyethyl]azanium chloride is sourced from PubChem (CID 26542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).