1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine

C22H20N2O3 — CID 135078094

IUPAC1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/[C@@H](COCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c25-24(26)21-13-11-18(12-14-21)15-23-22(20-9-5-2-6-10-20)17-27-16-19-7-3-1-4-8-19/h1-15,22H,16-17H2/b23-15+/t22-/m0/s1
InChIKeyDZPAELPNKDRFAJ-GQBVICOWSA-N
MW360.41 g/mol
LogP4.97
Rot. Bonds8

About 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine

1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine (PubChem CID 135078094) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
PubChem CID135078094
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/[C@@H](COCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c25-24(26)21-13-11-18(12-14-21)15-23-22(20-9-5-2-6-10-20)17-27-16-19-7-3-1-4-8-19/h1-15,22H,16-17H2/b23-15+/t22-/m0/s1
InChIKeyDZPAELPNKDRFAJ-GQBVICOWSA-N
XLogP4.97
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-nitro-4-(1-phenylmethoxybut-3-en-2-yl)benzene
CID 11623341
2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol
CID 5252818
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
1-nitro-4-(3-phenylmethoxypropoxy)benzene
CID 15012606
2-[[(E)-(4-nitrophenyl)methylideneamino]-phenylmethyl]isoindole-1,3-dione
CID 177471296
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-N-[(E)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 35793790
1-nitro-4-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 10858524
N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine
CID 15397255
1-nitro-4-[(E)-4-phenylmethoxybut-2-enoxy]benzene
CID 100966430
methyl (2R)-2-(benzylideneamino)-3-(4-nitrophenyl)sulfanylpropanoate
CID 22820340

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine (CID 135078094) is 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine is O=[N+]([O-])c1ccc(/C=N/[C@@H](COCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine?
The InChIKey is DZPAELPNKDRFAJ-GQBVICOWSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-24(26)21-13-11-18(12-14-21)15-23-22(20-9-5-2-6-10-20)17-27-16-19-7-3-1-4-8-19/h1-15,22H,16-17H2/b23-15+/t22-/m0/s1.
What are the key properties of 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine?
1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine has a molecular weight of 360.41 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine is sourced from PubChem (CID 135078094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).