2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride

C18H23BrClNO — CID 26365

IUPAC2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1.[Cl-]
InChIInChI=1S/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H
InChIKeyJUOZATSMKDYYGH-UHFFFAOYSA-N
MW384.75 g/mol
LogP-0.12
Rot. Bonds6

About 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride

2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride (PubChem CID 26365) has the molecular formula C18H23BrClNO and a molecular weight of 384.75 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride
PubChem CID26365
Molecular FormulaC18H23BrClNO
Molecular Weight384.75 g/mol
Exact Mass383.07
IUPAC Name2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1.[Cl-]
InChIInChI=1S/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H
InChIKeyJUOZATSMKDYYGH-UHFFFAOYSA-N
XLogP-0.12
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride (CID 26365) is 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride is C[NH+](C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1.[Cl-].
What is the InChIKey of 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride?
The InChIKey is JUOZATSMKDYYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H.
What are the key properties of 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride?
2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride has a molecular weight of 384.75 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl-dimethylazanium chloride is sourced from PubChem (CID 26365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).