5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C12H17NO2 — CID 20749347

IUPAC5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C12H17NO2/c1-13-10-5-4-8-6-11(14-2)12(15-3)7-9(8)10/h6-7,10,13H,4-5H2,1-3H3
InChIKeyKEYPMNRVHLLDQF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.91
Rot. Bonds3

About 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 20749347) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID20749347
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C12H17NO2/c1-13-10-5-4-8-6-11(14-2)12(15-3)7-9(8)10/h6-7,10,13H,4-5H2,1-3H3
InChIKeyKEYPMNRVHLLDQF-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 20749347) is 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KEYPMNRVHLLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-10-5-4-8-6-11(14-2)12(15-3)7-9(8)10/h6-7,10,13H,4-5H2,1-3H3.
What are the key properties of 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 20749347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).