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

C19H25NO2S — CID 11045807

IUPAC5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(Cc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C19H25NO2S/c1-4-6-20(12-14-5-7-23-13-14)17-8-15-10-18(21-2)19(22-3)11-16(15)9-17/h5,7,10-11,13,17H,4,6,8-9,12H2,1-3H3
InChIKeyPJPXNQMIBHMNFN-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.14
Rot. Bonds7

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

5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 11045807) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID11045807
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(Cc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C19H25NO2S/c1-4-6-20(12-14-5-7-23-13-14)17-8-15-10-18(21-2)19(22-3)11-16(15)9-17/h5,7,10-11,13,17H,4,6,8-9,12H2,1-3H3
InChIKeyPJPXNQMIBHMNFN-UHFFFAOYSA-N
XLogP4.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.14
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-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 11045807) is 5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is CCCN(Cc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1.
What is the InChIKey of 5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PJPXNQMIBHMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-4-6-20(12-14-5-7-23-13-14)17-8-15-10-18(21-2)19(22-3)11-16(15)9-17/h5,7,10-11,13,17H,4,6,8-9,12H2,1-3H3.
What are the key properties of 5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
5,6-dimethoxy-N-propyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 331.48 g/mol, XLogP of 4.14, 7 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-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 11045807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).