diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride

C13H22ClNO — CID 21633

IUPACdiethyl-[2-(2-methylphenoxy)ethyl]azanium chloride
SMILESCC[NH+](CC)CCOc1ccccc1C.[Cl-]
InChIInChI=1S/C13H21NO.ClH/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3;/h6-9H,4-5,10-11H2,1-3H3;1H
InChIKeyINWYTYJMFXUTQY-UHFFFAOYSA-N
MW243.78 g/mol
LogP-1.70
Rot. Bonds6

About diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride

diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride (PubChem CID 21633) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(2-methylphenoxy)ethyl]azanium chloride
PubChem CID21633
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Namediethyl-[2-(2-methylphenoxy)ethyl]azanium chloride
SMILESCC[NH+](CC)CCOc1ccccc1C.[Cl-]
InChIInChI=1S/C13H21NO.ClH/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3;/h6-9H,4-5,10-11H2,1-3H3;1H
InChIKeyINWYTYJMFXUTQY-UHFFFAOYSA-N
XLogP-1.70
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride?
The IUPAC name of diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride (CID 21633) is diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride is CC[NH+](CC)CCOc1ccccc1C.[Cl-].
What is the InChIKey of diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride?
The InChIKey is INWYTYJMFXUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3;/h6-9H,4-5,10-11H2,1-3H3;1H.
What are the key properties of diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride?
diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride has a molecular weight of 243.78 g/mol, XLogP of -1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-methylphenoxy)ethyl]azanium chloride is sourced from PubChem (CID 21633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).