(E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine

C18H21NO3 — CID 134971942

IUPAC(E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine
SMILESCOC[C@@H](OC/C=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-20-15-18(17-10-6-3-7-11-17)21-13-12-19-22-14-16-8-4-2-5-9-16/h2-12,18H,13-15H2,1H3/b19-12+/t18-/m1/s1
InChIKeyJRIAYAGDIZMJDR-LSCADSNKSA-N
MW299.37 g/mol
LogP3.59
Rot. Bonds9

About (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine

(E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine (PubChem CID 134971942) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine
PubChem CID134971942
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine
SMILESCOC[C@@H](OC/C=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-20-15-18(17-10-6-3-7-11-17)21-13-12-19-22-14-16-8-4-2-5-9-16/h2-12,18H,13-15H2,1H3/b19-12+/t18-/m1/s1
InChIKeyJRIAYAGDIZMJDR-LSCADSNKSA-N
XLogP3.59
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(2S,3S,6R)-3-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16758487
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine
CID 6518396
[(2R,3S,6R)-3-acetyloxy-6-[2-[(E)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 9556094
[(2S,3S,6R)-3-acetyloxy-6-[(2Z)-2-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]iminoethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 16758404
[(2S,3S,6R)-3-acetyloxy-6-[2-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 16758484
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
(E)-2-ethyl-N-[(1R)-1-phenylbutoxy]butan-1-imine
CID 10933832
(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine
CID 11054650
(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine
CID 12022165
(2S)-N-(2,3-Dibenzyloxypropylidene)benzylamine
CID 10959323

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine?
The IUPAC name of (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine (CID 134971942) is (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine is COC[C@@H](OC/C=N/OCc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine?
The InChIKey is JRIAYAGDIZMJDR-LSCADSNKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-20-15-18(17-10-6-3-7-11-17)21-13-12-19-22-14-16-8-4-2-5-9-16/h2-12,18H,13-15H2,1H3/b19-12+/t18-/m1/s1.
What are the key properties of (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine?
(E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine has a molecular weight of 299.37 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(1S)-2-methoxy-1-phenylethoxy]-N-phenylmethoxyethanimine is sourced from PubChem (CID 134971942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).