1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide

C22H21NOSe — CID 139265450

IUPAC1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide
SMILESCC([Se]c1ccccc1)C(c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C22H21NOSe/c1-18(25-21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)23(24)17-19-11-5-2-6-12-19/h2-18,22H,1H3/b23-17-
InChIKeyBUJMXCAONRXLQI-QJOMJCCJSA-N
MW394.38 g/mol
LogP4.20
Rot. Bonds6

About 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide

1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide (PubChem CID 139265450) has the molecular formula C22H21NOSe and a molecular weight of 394.38 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide
PubChem CID139265450
Molecular FormulaC22H21NOSe
Molecular Weight394.38 g/mol
Exact Mass395.08
IUPAC Name1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide
SMILESCC([Se]c1ccccc1)C(c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C22H21NOSe/c1-18(25-21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)23(24)17-19-11-5-2-6-12-19/h2-18,22H,1H3/b23-17-
InChIKeyBUJMXCAONRXLQI-QJOMJCCJSA-N
XLogP4.20
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Hydrobenzamide
CID 9566477
Methanediamine, 1-phenyl-N,N'-bis(phenylmethylene)-, (E,E)-
CID 66704
(Z)-benzyl(oxido)(phenylmethylidene)azanium
CID 5368368
N-(4-Phenylbenzylidene)benzylamine
CID 4149947
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
(1R,2S,N1Z,N2Z)-N1,N2-dibenzylidenecyclohexane-1,2-diamine dioxide
CID 1899031
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892270
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
1-phenyl-N-(1-phenylethyl)methanimine oxide
CID 5466983
N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
CID 24892272
N-benzhydryl-1-(4-fluorophenyl)methanimine
CID 10935135

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide?
The IUPAC name of 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide (CID 139265450) is 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide.
What is the SMILES notation for 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide?
The canonical SMILES for 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide is CC([Se]c1ccccc1)C(c1ccccc1)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide?
The InChIKey is BUJMXCAONRXLQI-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H21NOSe/c1-18(25-21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)23(24)17-19-11-5-2-6-12-19/h2-18,22H,1H3/b23-17-.
What are the key properties of 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide?
1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide has a molecular weight of 394.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenyl-2-phenylselanylpropyl)methanimine oxide is sourced from PubChem (CID 139265450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).