(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine

C17H19NO — CID 12022165

IUPAC(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine
SMILESCCC[C@@H](O/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-9-17(16-12-7-4-8-13-16)19-18-14-15-10-5-3-6-11-15/h3-8,10-14,17H,2,9H2,1H3/b18-14+/t17-/m1/s1
InChIKeyGEMXNTDOGFSKSN-SOGDLCAJSA-N
MW253.35 g/mol
LogP4.58
Rot. Bonds6

About (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine

(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine (PubChem CID 12022165) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine
PubChem CID12022165
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine
SMILESCCC[C@@H](O/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-9-17(16-12-7-4-8-13-16)19-18-14-15-10-5-3-6-11-15/h3-8,10-14,17H,2,9H2,1H3/b18-14+/t17-/m1/s1
InChIKeyGEMXNTDOGFSKSN-SOGDLCAJSA-N
XLogP4.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
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5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585632
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585655
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
Isoxazole, 4,5-dihydro-3,4,5-triphenyl-
CID 533750
O-benzylbenzaldoxime
CID 561973
5-Phenylisoxazoline
CID 568817
Acetophenone benzyloxime
CID 9602263
Pentanal O-benzyloxime
CID 9602269

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine?
The IUPAC name of (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine (CID 12022165) is (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine.
What is the SMILES notation for (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine?
The canonical SMILES for (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine is CCC[C@@H](O/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine?
The InChIKey is GEMXNTDOGFSKSN-SOGDLCAJSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-9-17(16-12-7-4-8-13-16)19-18-14-15-10-5-3-6-11-15/h3-8,10-14,17H,2,9H2,1H3/b18-14+/t17-/m1/s1.
What are the key properties of (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine?
(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine has a molecular weight of 253.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine is sourced from PubChem (CID 12022165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).