N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine

C24H21NO2 — CID 140975746

IUPACN-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine
SMILESCc1oc2ccccc2c1CCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO2/c1-18-21(22-14-8-9-15-23(22)27-18)16-17-26-25-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChIKeyFBKGUELLBTZRKM-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.75
Rot. Bonds6

About N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine

N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine (PubChem CID 140975746) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine
PubChem CID140975746
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC NameN-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine
SMILESCc1oc2ccccc2c1CCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO2/c1-18-21(22-14-8-9-15-23(22)27-18)16-17-26-25-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChIKeyFBKGUELLBTZRKM-UHFFFAOYSA-N
XLogP5.75
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine (CID 140975746) is N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine is Cc1oc2ccccc2c1CCON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine?
The InChIKey is FBKGUELLBTZRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-18-21(22-14-8-9-15-23(22)27-18)16-17-26-25-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3.
What are the key properties of N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine?
N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine has a molecular weight of 355.44 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1-benzofuran-3-yl)ethoxy]-1,1-diphenylmethanimine is sourced from PubChem (CID 140975746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).