2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine

C21H27N3O2 — CID 46884733

IUPAC2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccnc1OC
InChIInChI=1S/C21H27N3O2/c1-14(20-21(26-5)23-10-9-22-20)19-15(8-11-24(2)3)12-16-13-17(25-4)6-7-18(16)19/h6-7,9-10,13-14H,8,11-12H2,1-5H3/t14-/m1/s1
InChIKeyAIGMIQVSRPRWAQ-CQSZACIVSA-N
MW353.47 g/mol
LogP3.56
Rot. Bonds7

About 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine

2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 46884733) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID46884733
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccnc1OC
InChIInChI=1S/C21H27N3O2/c1-14(20-21(26-5)23-10-9-22-20)19-15(8-11-24(2)3)12-16-13-17(25-4)6-7-18(16)19/h6-7,9-10,13-14H,8,11-12H2,1-5H3/t14-/m1/s1
InChIKeyAIGMIQVSRPRWAQ-CQSZACIVSA-N
XLogP3.56
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (CID 46884733) is 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccnc1OC.
What is the InChIKey of 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is AIGMIQVSRPRWAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(20-21(26-5)23-10-9-22-20)19-15(8-11-24(2)3)12-16-13-17(25-4)6-7-18(16)19/h6-7,9-10,13-14H,8,11-12H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 353.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46884733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).