2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine

C17H19NO — CID 135039730

IUPAC2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
SMILESCOC/C(=N\[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(15-9-5-3-6-10-15)18-17(13-19-2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b18-17+/t14-/m1/s1
InChIKeyFLEGMDVRHGNDIU-IAFNSTAXSA-N
MW253.34 g/mol
LogP3.88
Rot. Bonds5

About 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine

2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine (PubChem CID 135039730) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
PubChem CID135039730
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
SMILESCOC/C(=N\[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(15-9-5-3-6-10-15)18-17(13-19-2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b18-17+/t14-/m1/s1
InChIKeyFLEGMDVRHGNDIU-IAFNSTAXSA-N
XLogP3.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
1-phenyl-N-(1-phenylethyl)ethanimine
CID 10680615
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(1R)-1-Phenyl-N-[(E)-1-phenylethylidene]ethanamine
CID 10987878
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 11365135
alpha-ethyl-N-(phenylmethyl)benzenemethaneimine
CID 11492288
2-methoxy-3-phenyl-2H-azirine
CID 14088933

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
The IUPAC name of 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine (CID 135039730) is 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine.
What is the SMILES notation for 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
The canonical SMILES for 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine is COC/C(=N\[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
The InChIKey is FLEGMDVRHGNDIU-IAFNSTAXSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(15-9-5-3-6-10-15)18-17(13-19-2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b18-17+/t14-/m1/s1.
What are the key properties of 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine has a molecular weight of 253.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine is sourced from PubChem (CID 135039730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).