5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile

C15H20N2O2 — CID 63095339

IUPAC5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
SMILESCCNC1COc2cc(OCCCCC#N)ccc21
InChIInChI=1S/C15H20N2O2/c1-2-17-14-11-19-15-10-12(6-7-13(14)15)18-9-5-3-4-8-16/h6-7,10,14,17H,2-5,9,11H2,1H3
InChIKeySUHLBNMUEWWPFP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.80
Rot. Bonds7

About 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile

5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile (PubChem CID 63095339) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile.

Molecular Properties

Compound Name5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
PubChem CID63095339
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
SMILESCCNC1COc2cc(OCCCCC#N)ccc21
InChIInChI=1S/C15H20N2O2/c1-2-17-14-11-19-15-10-12(6-7-13(14)15)18-9-5-3-4-8-16/h6-7,10,14,17H,2-5,9,11H2,1H3
InChIKeySUHLBNMUEWWPFP-UHFFFAOYSA-N
XLogP2.80
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile?
The IUPAC name of 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile (CID 63095339) is 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile.
What is the SMILES notation for 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile?
The canonical SMILES for 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile is CCNC1COc2cc(OCCCCC#N)ccc21.
What is the InChIKey of 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile?
The InChIKey is SUHLBNMUEWWPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-17-14-11-19-15-10-12(6-7-13(14)15)18-9-5-3-4-8-16/h6-7,10,14,17H,2-5,9,11H2,1H3.
What are the key properties of 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile?
5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile has a molecular weight of 260.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile is sourced from PubChem (CID 63095339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).