1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

C17H18N2O2 — CID 114954888

IUPAC1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCOc1cccc2cc(CNCc3cnccc3C)oc12
InChIInChI=1S/C17H18N2O2/c1-12-6-7-18-9-14(12)10-19-11-15-8-13-4-3-5-16(20-2)17(13)21-15/h3-9,19H,10-11H2,1-2H3
InChIKeyPJFDQLLHMUWRAN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.43
Rot. Bonds5

About 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 114954888) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
PubChem CID114954888
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCOc1cccc2cc(CNCc3cnccc3C)oc12
InChIInChI=1S/C17H18N2O2/c1-12-6-7-18-9-14(12)10-19-11-15-8-13-4-3-5-16(20-2)17(13)21-15/h3-9,19H,10-11H2,1-2H3
InChIKeyPJFDQLLHMUWRAN-UHFFFAOYSA-N
XLogP3.43
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (CID 114954888) is 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is COc1cccc2cc(CNCc3cnccc3C)oc12.
What is the InChIKey of 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is PJFDQLLHMUWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-6-7-18-9-14(12)10-19-11-15-8-13-4-3-5-16(20-2)17(13)21-15/h3-9,19H,10-11H2,1-2H3.
What are the key properties of 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 282.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114954888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).