2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride

C17H20Cl3NO — CID 29104

IUPAC2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C17H19Cl2NO.ClH/c1-20(2)11-12-21-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H
InChIKeyTYHGSGMXCUWAKM-UHFFFAOYSA-N
MW360.71 g/mol
LogP0.25
Rot. Bonds6

About 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride

2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride (PubChem CID 29104) has the molecular formula C17H20Cl3NO and a molecular weight of 360.71 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride
PubChem CID29104
Molecular FormulaC17H20Cl3NO
Molecular Weight360.71 g/mol
Exact Mass359.06
IUPAC Name2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C17H19Cl2NO.ClH/c1-20(2)11-12-21-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H
InChIKeyTYHGSGMXCUWAKM-UHFFFAOYSA-N
XLogP0.25
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride (CID 29104) is 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride is C[NH+](C)CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride?
The InChIKey is TYHGSGMXCUWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO.ClH/c1-20(2)11-12-21-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H.
What are the key properties of 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride?
2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride has a molecular weight of 360.71 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methoxy]ethyl-dimethylazanium chloride is sourced from PubChem (CID 29104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).