N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide

C17H19NO — CID 24892272

IUPACN-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
SMILESCC(C)(Cc1ccccc1)/[N+]([O-])=C\c1ccccc1
InChIInChI=1S/C17H19NO/c1-17(2,13-15-9-5-3-6-10-15)18(19)14-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b18-14+
InChIKeyWGXQJMJLJKMZQP-NBVRZTHBSA-N
MW253.35 g/mol
LogP3.64
Rot. Bonds4

About N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide

N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide (PubChem CID 24892272) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
PubChem CID24892272
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
SMILESCC(C)(Cc1ccccc1)/[N+]([O-])=C\c1ccccc1
InChIInChI=1S/C17H19NO/c1-17(2,13-15-9-5-3-6-10-15)18(19)14-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b18-14+
InChIKeyWGXQJMJLJKMZQP-NBVRZTHBSA-N
XLogP3.64
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide (CID 24892272) is N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide is CC(C)(Cc1ccccc1)/[N+]([O-])=C\c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The InChIKey is WGXQJMJLJKMZQP-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,13-15-9-5-3-6-10-15)18(19)14-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b18-14+.
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide has a molecular weight of 253.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide is sourced from PubChem (CID 24892272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).