2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride

C18H29Cl2NO — CID 25903

IUPAC2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC1(c2ccc(Cl)cc2)CCCCC1.[Cl-]
InChIInChI=1S/C18H28ClNO.ClH/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15H2,1-2H3;1H
InChIKeyGHTNEJJXVUMOPX-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.44
Rot. Bonds7

About 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride

2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride (PubChem CID 25903) has the molecular formula C18H29Cl2NO and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride
PubChem CID25903
Molecular FormulaC18H29Cl2NO
Molecular Weight346.34 g/mol
Exact Mass345.16
IUPAC Name2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC1(c2ccc(Cl)cc2)CCCCC1.[Cl-]
InChIInChI=1S/C18H28ClNO.ClH/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15H2,1-2H3;1H
InChIKeyGHTNEJJXVUMOPX-UHFFFAOYSA-N
XLogP0.44
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride (CID 25903) is 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride is CC[NH+](CC)CCOC1(c2ccc(Cl)cc2)CCCCC1.[Cl-].
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride?
The InChIKey is GHTNEJJXVUMOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO.ClH/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15H2,1-2H3;1H.
What are the key properties of 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride?
2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride has a molecular weight of 346.34 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclohexyl]oxyethyl-diethylazanium chloride is sourced from PubChem (CID 25903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).