3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine

C19H21NO2S — CID 22171146

IUPAC3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccsc12)c1cccc(OC)c1
InChIInChI=1S/C19H21NO2S/c1-20-11-9-17(15-6-3-7-16(13-15)21-2)22-18-8-4-5-14-10-12-23-19(14)18/h3-8,10,12-13,17,20H,9,11H2,1-2H3
InChIKeyGPEVTWQCDFACRN-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.64
Rot. Bonds7

About 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine

3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 22171146) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID22171146
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccsc12)c1cccc(OC)c1
InChIInChI=1S/C19H21NO2S/c1-20-11-9-17(15-6-3-7-16(13-15)21-2)22-18-8-4-5-14-10-12-23-19(14)18/h3-8,10,12-13,17,20H,9,11H2,1-2H3
InChIKeyGPEVTWQCDFACRN-UHFFFAOYSA-N
XLogP4.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine (CID 22171146) is 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine is CNCCC(Oc1cccc2ccsc12)c1cccc(OC)c1.
What is the InChIKey of 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is GPEVTWQCDFACRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-20-11-9-17(15-6-3-7-16(13-15)21-2)22-18-8-4-5-14-10-12-23-19(14)18/h3-8,10,12-13,17,20H,9,11H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine?
3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 327.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yloxy)-3-(3-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 22171146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).