N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine

C16H17NO — CID 11436387

IUPACN-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine
SMILESCOC[C@@H](/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-18-13-16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12+/t16-/m1/s1
InChIKeyQHJYUMTXNYRIOU-QRYYFKOISA-N
MW239.32 g/mol
LogP3.49
Rot. Bonds5

About N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine

N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine (PubChem CID 11436387) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine
PubChem CID11436387
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine
SMILESCOC[C@@H](/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-18-13-16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12+/t16-/m1/s1
InChIKeyQHJYUMTXNYRIOU-QRYYFKOISA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.49
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
2,4-Diphenyl-1,3-oxazoline
CID 10889524
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
CID 208995
2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
(4R)-4,5-Dihydro-2-(4-methylphenyl)-4-phenyloxazole
CID 44414834
Methyl 2-phenyl-2-[(phenylmethylene)amino]acetate
CID 3714052
(S)-2,4-Diphenyl-4,5-dihydrooxazole
CID 54012743

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine?
The IUPAC name of N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine (CID 11436387) is N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine?
The canonical SMILES for N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine is COC[C@@H](/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine?
The InChIKey is QHJYUMTXNYRIOU-QRYYFKOISA-N. The full InChI is InChI=1S/C16H17NO/c1-18-13-16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12+/t16-/m1/s1.
What are the key properties of N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine?
N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine has a molecular weight of 239.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine is sourced from PubChem (CID 11436387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).