1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide

C15H15NO — CID 11042403

IUPAC1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
SMILESC[C@@H](c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C15H15NO/c1-13(15-10-6-3-7-11-15)16(17)12-14-8-4-2-5-9-14/h2-13H,1H3/b16-12-/t13-/m0/s1
InChIKeyVCCUQQXPEXRXEK-WIOAZZGGSA-N
MW225.29 g/mol
LogP3.38
Rot. Bonds3

About 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide

1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide (PubChem CID 11042403) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
PubChem CID11042403
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
SMILESC[C@@H](c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C15H15NO/c1-13(15-10-6-3-7-11-15)16(17)12-14-8-4-2-5-9-14/h2-13H,1H3/b16-12-/t13-/m0/s1
InChIKeyVCCUQQXPEXRXEK-WIOAZZGGSA-N
XLogP3.38
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenyl-N-(1-phenylethyl)methanimine oxide
CID 23248118
1-phenyl-N-propan-2-ylmethanimine oxide
CID 10397124
N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide
CID 14642518
1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide
CID 139265449
1-phenyl-N-(1-phenylbut-3-enyl)methanimine oxide
CID 85304169
N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine oxide
CID 14642521
N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
CID 135050849
1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide
CID 10631145
N-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-1-phenylmethanimine oxide
CID 6989437
N-[1-(5-bromo-1H-indol-3-yl)ethyl]-1-phenylmethanimine oxide
CID 74386681
2-ethoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide
CID 11148746
1-phenyl-N-[(1S)-1-pyridin-4-ylbut-3-enyl]methanimine oxide
CID 2276429

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide?
The IUPAC name of 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide (CID 11042403) is 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide?
The canonical SMILES for 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide is C[C@@H](c1ccccc1)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide?
The InChIKey is VCCUQQXPEXRXEK-WIOAZZGGSA-N. The full InChI is InChI=1S/C15H15NO/c1-13(15-10-6-3-7-11-15)16(17)12-14-8-4-2-5-9-14/h2-13H,1H3/b16-12-/t13-/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide?
1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide has a molecular weight of 225.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide is sourced from PubChem (CID 11042403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).