1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide

C20H19NO3 — CID 134996991

IUPAC1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
SMILES[O-]/[N+](=C\c1ccco1)[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-21(14-19-12-7-13-24-19)20(18-10-5-2-6-11-18)16-23-15-17-8-3-1-4-9-17/h1-14,20H,15-16H2/b21-14-/t20-/m0/s1
InChIKeyATPYEZIMVLAGSB-RUAJRXAUSA-N
MW321.38 g/mol
LogP4.17
Rot. Bonds7

About 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide

1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide (PubChem CID 134996991) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
PubChem CID134996991
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
SMILES[O-]/[N+](=C\c1ccco1)[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-21(14-19-12-7-13-24-19)20(18-10-5-2-6-11-18)16-23-15-17-8-3-1-4-9-17/h1-14,20H,15-16H2/b21-14-/t20-/m0/s1
InChIKeyATPYEZIMVLAGSB-RUAJRXAUSA-N
XLogP4.17
TPSA48.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-2-phenylmethoxyethanamine
CID 16788903
N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide
CID 14642518
2,3-difluoropropoxymethylbenzene
CID 86233522
1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide
CID 6881174
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide
CID 11394741
1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 135078094
1-nitro-4-(1-phenylmethoxybut-3-en-2-yl)benzene
CID 11623341
2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
CID 10880992
(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene
CID 10978456
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide?
The IUPAC name of 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide (CID 134996991) is 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide.
What is the SMILES notation for 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide?
The canonical SMILES for 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide is [O-]/[N+](=C\c1ccco1)[C@@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide?
The InChIKey is ATPYEZIMVLAGSB-RUAJRXAUSA-N. The full InChI is InChI=1S/C20H19NO3/c22-21(14-19-12-7-13-24-19)20(18-10-5-2-6-11-18)16-23-15-17-8-3-1-4-9-17/h1-14,20H,15-16H2/b21-14-/t20-/m0/s1.
What are the key properties of 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide?
1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide has a molecular weight of 321.38 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide is sourced from PubChem (CID 134996991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).