1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine

C18H20N2O — CID 11522580

IUPAC1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)CC(CN(C)C)=C2c1cccnc1
InChIInChI=1S/C18H20N2O/c1-20(2)12-15-9-14-10-16(21-3)6-7-17(14)18(15)13-5-4-8-19-11-13/h4-8,10-11H,9,12H2,1-3H3
InChIKeyGQPGBYGEQXBPQQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.01
Rot. Bonds4

About 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine

1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine (PubChem CID 11522580) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine
PubChem CID11522580
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)CC(CN(C)C)=C2c1cccnc1
InChIInChI=1S/C18H20N2O/c1-20(2)12-15-9-14-10-16(21-3)6-7-17(14)18(15)13-5-4-8-19-11-13/h4-8,10-11H,9,12H2,1-3H3
InChIKeyGQPGBYGEQXBPQQ-UHFFFAOYSA-N
XLogP3.01
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine (CID 11522580) is 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine is COc1ccc2c(c1)CC(CN(C)C)=C2c1cccnc1.
What is the InChIKey of 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine?
The InChIKey is GQPGBYGEQXBPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)12-15-9-14-10-16(21-3)6-7-17(14)18(15)13-5-4-8-19-11-13/h4-8,10-11H,9,12H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine?
1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 11522580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).