N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine

C18H19NO — CID 102375031

IUPACN-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](C)O2
InChIInChI=1S/C18H19NO/c1-13-11-17-16(9-6-10-18(17)20-13)14(2)19-12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3/b19-14+/t13-/m1/s1
InChIKeyYOGZQFQAMAFJGG-DVDIPCOMSA-N
MW265.36 g/mol
LogP4.02
Rot. Bonds3

About N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine

N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine (PubChem CID 102375031) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine.

Molecular Properties

Compound NameN-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine
PubChem CID102375031
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](C)O2
InChIInChI=1S/C18H19NO/c1-13-11-17-16(9-6-10-18(17)20-13)14(2)19-12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3/b19-14+/t13-/m1/s1
InChIKeyYOGZQFQAMAFJGG-DVDIPCOMSA-N
XLogP4.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine?
The IUPAC name of N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine (CID 102375031) is N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine.
What is the SMILES notation for N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine?
The canonical SMILES for N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine is C/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](C)O2.
What is the InChIKey of N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine?
The InChIKey is YOGZQFQAMAFJGG-DVDIPCOMSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-11-17-16(9-6-10-18(17)20-13)14(2)19-12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3/b19-14+/t13-/m1/s1.
What are the key properties of N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine?
N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine has a molecular weight of 265.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]ethanimine is sourced from PubChem (CID 102375031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).