(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine

C18H21NO — CID 11054650

IUPAC(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine
SMILESCCC[C@@H](O/N=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-9-18(17-12-7-4-8-13-17)20-19-15-14-16-10-5-3-6-11-16/h3-8,10-13,15,18H,2,9,14H2,1H3/b19-15+/t18-/m1/s1
InChIKeyHIOSQBVAUIWWAN-AQRXXJNJSA-N
MW267.37 g/mol
LogP4.77
Rot. Bonds7

About (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine

(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine (PubChem CID 11054650) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine.

Molecular Properties

Compound Name(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine
PubChem CID11054650
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine
SMILESCCC[C@@H](O/N=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-9-18(17-12-7-4-8-13-17)20-19-15-14-16-10-5-3-6-11-16/h3-8,10-13,15,18H,2,9,14H2,1H3/b19-15+/t18-/m1/s1
InChIKeyHIOSQBVAUIWWAN-AQRXXJNJSA-N
XLogP4.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.77
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
CID 15470983
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458
5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
CID 11821988
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 24881471
5-Benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881751
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-Methyl-3-phenethyl-5-phenyl-4,5-dihydroisoxazole (enantiomeric mix)
CID 46888698
5-Benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585584
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585632
5-Benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585634

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine?
The IUPAC name of (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine (CID 11054650) is (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine.
What is the SMILES notation for (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine?
The canonical SMILES for (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine is CCC[C@@H](O/N=C/Cc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine?
The InChIKey is HIOSQBVAUIWWAN-AQRXXJNJSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-9-18(17-12-7-4-8-13-17)20-19-15-14-16-10-5-3-6-11-16/h3-8,10-13,15,18H,2,9,14H2,1H3/b19-15+/t18-/m1/s1.
What are the key properties of (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine?
(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine has a molecular weight of 267.37 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine is sourced from PubChem (CID 11054650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).