4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile

C17H16N2O — CID 79226666

IUPAC4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCC2COc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c18-9-13-5-7-14(8-6-13)10-19-11-15-12-20-17-4-2-1-3-16(15)17/h1-8,15,19H,10-12H2
InChIKeyBMDVTHUHQZMCMO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.82
Rot. Bonds4

About 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile

4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile (PubChem CID 79226666) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
PubChem CID79226666
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCC2COc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c18-9-13-5-7-14(8-6-13)10-19-11-15-12-20-17-4-2-1-3-16(15)17/h1-8,15,19H,10-12H2
InChIKeyBMDVTHUHQZMCMO-UHFFFAOYSA-N
XLogP2.82
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile?
The IUPAC name of 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile (CID 79226666) is 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile.
What is the SMILES notation for 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile?
The canonical SMILES for 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile is N#Cc1ccc(CNCC2COc3ccccc32)cc1.
What is the InChIKey of 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile?
The InChIKey is BMDVTHUHQZMCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-9-13-5-7-14(8-6-13)10-19-11-15-12-20-17-4-2-1-3-16(15)17/h1-8,15,19H,10-12H2.
What are the key properties of 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile?
4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile is sourced from PubChem (CID 79226666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).