(5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine

C20H27NO2S — CID 10904093

IUPAC5,6-dimethoxy-N-propyl-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC1=CC=CS1)C2CC3=CC(=C(C=C3C2)OC)OC
InChIInChI=1S/C20H27NO2S/c1-4-8-21(9-7-18-6-5-10-24-18)17-11-15-13-19(22-2)20(23-3)14-16(15)12-17/h5-6,10,13-14,17H,4,7-9,11-12H2,1-3H3
InChIKeyZWNDDIIOXZXGCK-UHFFFAOYSA-N
MW345.50 g/mol
LogP4.80
Rot. Bonds8

About (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine

(5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine (PubChem CID 10904093) has the molecular formula C20H27NO2S and a molecular weight of 345.50 g/mol. Its IUPAC name is 5,6-dimethoxy-N-propyl-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
PubChem CID10904093
Molecular FormulaC20H27NO2S
Molecular Weight345.50 g/mol
Exact Mass345.18
IUPAC Name5,6-dimethoxy-N-propyl-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC1=CC=CS1)C2CC3=CC(=C(C=C3C2)OC)OC
InChIInChI=1S/C20H27NO2S/c1-4-8-21(9-7-18-6-5-10-24-18)17-11-15-13-19(22-2)20(23-3)14-16(15)12-17/h5-6,10,13-14,17H,4,7-9,11-12H2,1-3H3
InChIKeyZWNDDIIOXZXGCK-UHFFFAOYSA-N
XLogP4.80
TPSA49.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity361

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
The IUPAC name of (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine (CID 10904093) is 5,6-dimethoxy-N-propyl-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
The canonical SMILES for (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine is CCCN(CCC1=CC=CS1)C2CC3=CC(=C(C=C3C2)OC)OC.
What is the InChIKey of (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
The InChIKey is ZWNDDIIOXZXGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-4-8-21(9-7-18-6-5-10-24-18)17-11-15-13-19(22-2)20(23-3)14-16(15)12-17/h5-6,10,13-14,17H,4,7-9,11-12H2,1-3H3.
What are the key properties of (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
(5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine has a molecular weight of 345.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine is sourced from PubChem (CID 10904093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).