N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine

C17H19NO — CID 134877791

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine
SMILESCOC[C@H](/N=C/c1ccccc1C)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14-8-6-7-11-16(14)12-18-17(13-19-2)15-9-4-3-5-10-15/h3-12,17H,13H2,1-2H3/b18-12+/t17-/m0/s1
InChIKeyNYFBVGLQXNPZGS-BOFQVRIASA-N
MW253.34 g/mol
LogP3.80
Rot. Bonds5

About N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine

N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine (PubChem CID 134877791) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine
PubChem CID134877791
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine
SMILESCOC[C@H](/N=C/c1ccccc1C)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14-8-6-7-11-16(14)12-18-17(13-19-2)15-9-4-3-5-10-15/h3-12,17H,13H2,1-2H3/b18-12+/t17-/m0/s1
InChIKeyNYFBVGLQXNPZGS-BOFQVRIASA-N
XLogP3.80
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 ≤ 53.80
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
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
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
(4S,4'S)-2,2'-Propylidenebis[4,5-dihydro-4-phenyloxazole]
CID 56982768
(r)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 57348696

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine (CID 134877791) is N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine is COC[C@H](/N=C/c1ccccc1C)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine?
The InChIKey is NYFBVGLQXNPZGS-BOFQVRIASA-N. The full InChI is InChI=1S/C17H19NO/c1-14-8-6-7-11-16(14)12-18-17(13-19-2)15-9-4-3-5-10-15/h3-12,17H,13H2,1-2H3/b18-12+/t17-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine?
N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine has a molecular weight of 253.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine is sourced from PubChem (CID 134877791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).