5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine

C20H27NO2S — CID 10882507

IUPAC5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C20H27NO2S/c1-4-7-21(8-5-15-6-9-24-14-15)18-10-16-12-19(22-2)20(23-3)13-17(16)11-18/h6,9,12-14,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyQFFWSYBNWWOHJV-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.19
Rot. Bonds8

About 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine

5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 10882507) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID10882507
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C20H27NO2S/c1-4-7-21(8-5-15-6-9-24-14-15)18-10-16-12-19(22-2)20(23-3)13-17(16)11-18/h6,9,12-14,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyQFFWSYBNWWOHJV-UHFFFAOYSA-N
XLogP4.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine (CID 10882507) is 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine is CCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1.
What is the InChIKey of 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QFFWSYBNWWOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-4-7-21(8-5-15-6-9-24-14-15)18-10-16-12-19(22-2)20(23-3)13-17(16)11-18/h6,9,12-14,18H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine?
5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 345.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-propyl-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 10882507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).