1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine

C15H16N2O — CID 79226899

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)OCC2CNCc1ccncc1
InChIInChI=1S/C15H16N2O/c1-2-4-15-14(3-1)13(11-18-15)10-17-9-12-5-7-16-8-6-12/h1-8,13,17H,9-11H2
InChIKeyUCCAHYXVNXGBQD-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.35
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine

1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 79226899) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID79226899
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)OCC2CNCc1ccncc1
InChIInChI=1S/C15H16N2O/c1-2-4-15-14(3-1)13(11-18-15)10-17-9-12-5-7-16-8-6-12/h1-8,13,17H,9-11H2
InChIKeyUCCAHYXVNXGBQD-UHFFFAOYSA-N
XLogP2.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 79226899) is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine is c1ccc2c(c1)OCC2CNCc1ccncc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is UCCAHYXVNXGBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-4-15-14(3-1)13(11-18-15)10-17-9-12-5-7-16-8-6-12/h1-8,13,17H,9-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 79226899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).