2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

C19H23N3O — CID 46884669

IUPAC2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1
InChIInChI=1S/C19H23N3O/c1-22(2)9-6-14-10-15-11-17(23-3)4-5-18(15)19(14)12-16-13-20-7-8-21-16/h4-5,7-8,11,13H,6,9-10,12H2,1-3H3
InChIKeyVWGHJDXVTAUEQY-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.99
Rot. Bonds6

About 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 46884669) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID46884669
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1
InChIInChI=1S/C19H23N3O/c1-22(2)9-6-14-10-15-11-17(23-3)4-5-18(15)19(14)12-16-13-20-7-8-21-16/h4-5,7-8,11,13H,6,9-10,12H2,1-3H3
InChIKeyVWGHJDXVTAUEQY-UHFFFAOYSA-N
XLogP2.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (CID 46884669) is 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1.
What is the InChIKey of 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is VWGHJDXVTAUEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-22(2)9-6-14-10-15-11-17(23-3)4-5-18(15)19(14)12-16-13-20-7-8-21-16/h4-5,7-8,11,13H,6,9-10,12H2,1-3H3.
What are the key properties of 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 309.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46884669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).