N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine

C18H21NO2 — CID 11822137

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine
SMILESCOC[C@H](/N=C/COCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-20-15-18(17-10-6-3-7-11-17)19-12-13-21-14-16-8-4-2-5-9-16/h2-12,18H,13-15H2,1H3/b19-12+/t18-/m0/s1
InChIKeyNEHDPRNZHAROKZ-LPGQDOADSA-N
MW283.37 g/mol
LogP3.66
Rot. Bonds8

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

N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine (PubChem CID 11822137) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine
PubChem CID11822137
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine
SMILESCOC[C@H](/N=C/COCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-20-15-18(17-10-6-3-7-11-17)19-12-13-21-14-16-8-4-2-5-9-16/h2-12,18H,13-15H2,1H3/b19-12+/t18-/m0/s1
InChIKeyNEHDPRNZHAROKZ-LPGQDOADSA-N
XLogP3.66
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
(S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
CID 44308930
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
N-Benzyl(ethoxy)phenylethanimidamide
CID 47199
(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-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine (CID 11822137) is N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine is COC[C@H](/N=C/COCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine?
The InChIKey is NEHDPRNZHAROKZ-LPGQDOADSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-15-18(17-10-6-3-7-11-17)19-12-13-21-14-16-8-4-2-5-9-16/h2-12,18H,13-15H2,1H3/b19-12+/t18-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine?
N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine has a molecular weight of 283.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]-2-phenylmethoxyethanimine is sourced from PubChem (CID 11822137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).