2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride

C20H27ClN2O2S — CID 90678289

IUPAC2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOc1ccc2sc3ccc(OCCN(C)C)cc3c2c1.Cl
InChIInChI=1S/C20H26N2O2S.ClH/c1-21(2)9-11-23-15-5-7-19-17(13-15)18-14-16(6-8-20(18)25-19)24-12-10-22(3)4;/h5-8,13-14H,9-12H2,1-4H3;1H
InChIKeyGMDMCYVLJPHYFS-UHFFFAOYSA-N
MW394.97 g/mol
LogP4.36
Rot. Bonds8

About 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride

2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 90678289) has the molecular formula C20H27ClN2O2S and a molecular weight of 394.97 g/mol. Its IUPAC name is 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID90678289
Molecular FormulaC20H27ClN2O2S
Molecular Weight394.97 g/mol
Exact Mass394.15
IUPAC Name2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOc1ccc2sc3ccc(OCCN(C)C)cc3c2c1.Cl
InChIInChI=1S/C20H26N2O2S.ClH/c1-21(2)9-11-23-15-5-7-19-17(13-15)18-14-16(6-8-20(18)25-19)24-12-10-22(3)4;/h5-8,13-14H,9-12H2,1-4H3;1H
InChIKeyGMDMCYVLJPHYFS-UHFFFAOYSA-N
XLogP4.36
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride (CID 90678289) is 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride is CN(C)CCOc1ccc2sc3ccc(OCCN(C)C)cc3c2c1.Cl.
What is the InChIKey of 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is GMDMCYVLJPHYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S.ClH/c1-21(2)9-11-23-15-5-7-19-17(13-15)18-14-16(6-8-20(18)25-19)24-12-10-22(3)4;/h5-8,13-14H,9-12H2,1-4H3;1H.
What are the key properties of 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride?
2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 394.97 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(dimethylamino)ethoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 90678289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).