1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine

C17H20N2O2 — CID 62297979

IUPAC1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C17H20N2O2/c1-17(2)10-12-6-4-8-14(16(12)21-17)20-15-9-5-7-13(19-15)11-18-3/h4-9,18H,10-11H2,1-3H3
InChIKeyOVXBCWQUGZKHMG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.31
Rot. Bonds4

About 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine

1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine (PubChem CID 62297979) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
PubChem CID62297979
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C17H20N2O2/c1-17(2)10-12-6-4-8-14(16(12)21-17)20-15-9-5-7-13(19-15)11-18-3/h4-9,18H,10-11H2,1-3H3
InChIKeyOVXBCWQUGZKHMG-UHFFFAOYSA-N
XLogP3.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine (CID 62297979) is 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(Oc2cccc3c2OC(C)(C)C3)n1.
What is the InChIKey of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is OVXBCWQUGZKHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2)10-12-6-4-8-14(16(12)21-17)20-15-9-5-7-13(19-15)11-18-3/h4-9,18H,10-11H2,1-3H3.
What are the key properties of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine?
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 284.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).