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

C20H25N3O — CID 46884731

IUPAC2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1
InChIInChI=1S/C20H25N3O/c1-14(19-13-21-8-9-22-19)20-15(7-10-23(2)3)11-16-12-17(24-4)5-6-18(16)20/h5-6,8-9,12-14H,7,10-11H2,1-4H3/t14-/m0/s1
InChIKeyPIHREWZGYZJCNQ-AWEZNQCLSA-N
MW323.44 g/mol
LogP3.55
Rot. Bonds6

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

2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 46884731) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID46884731
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1
InChIInChI=1S/C20H25N3O/c1-14(19-13-21-8-9-22-19)20-15(7-10-23(2)3)11-16-12-17(24-4)5-6-18(16)20/h5-6,8-9,12-14H,7,10-11H2,1-4H3/t14-/m0/s1
InChIKeyPIHREWZGYZJCNQ-AWEZNQCLSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.55
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-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (CID 46884731) is 2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1.
What is the InChIKey of 2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is PIHREWZGYZJCNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(19-13-21-8-9-22-19)20-15(7-10-23(2)3)11-16-12-17(24-4)5-6-18(16)20/h5-6,8-9,12-14H,7,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-methoxy-3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.55, 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-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46884731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).