3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine

C22H30N2O2S — CID 67164998

IUPAC3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)sc1ccc(OCCCN(C)C)cc12
InChIInChI=1S/C22H30N2O2S/c1-23(2)11-5-13-25-17-8-10-21-20(15-17)19-9-7-18(16-22(19)27-21)26-14-6-12-24(3)4/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyJYVTVRFXZAPZNZ-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.72
Rot. Bonds10

About 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine

3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 67164998) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID67164998
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)sc1ccc(OCCCN(C)C)cc12
InChIInChI=1S/C22H30N2O2S/c1-23(2)11-5-13-25-17-8-10-21-20(15-17)19-9-7-18(16-22(19)27-21)26-14-6-12-24(3)4/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyJYVTVRFXZAPZNZ-UHFFFAOYSA-N
XLogP4.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,8-dipentoxydibenzothiophene
CID 141427401
1-[3-[7-(3-pyrrolidin-1-ylpropoxy)dibenzothiophen-2-yl]oxypropyl]pyrrolidine
CID 67163765
N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
CID 67163885
1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine
CID 67163021
2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine
CID 11500436
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
2-ethoxydibenzothiophene
CID 102527162
3,6-bis[2-(dipropylamino)ethoxy]thioxanthen-9-one
CID 57439634
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N,N-dimethylbutan-1-amine
CID 22314143
2,6-bis[3-(azetidin-1-yl)propoxy]thioxanthen-9-one
CID 57439620

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine (CID 67164998) is 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc2c(c1)sc1ccc(OCCCN(C)C)cc12.
What is the InChIKey of 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is JYVTVRFXZAPZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-23(2)11-5-13-25-17-8-10-21-20(15-17)19-9-7-18(16-22(19)27-21)26-14-6-12-24(3)4/h7-10,15-16H,5-6,11-14H2,1-4H3.
What are the key properties of 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine?
3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 386.56 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 67164998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).