N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide

C16H17NO2 — CID 14642518

IUPACN-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide
SMILESCOCC(c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-13-16(15-10-6-3-7-11-15)17(18)12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12-
InChIKeyGNBPUBPQQWTDPS-ATVHPVEESA-N
MW255.32 g/mol
LogP3.00
Rot. Bonds5

About N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide

N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide (PubChem CID 14642518) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide
PubChem CID14642518
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide
SMILESCOCC(c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-13-16(15-10-6-3-7-11-15)17(18)12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12-
InChIKeyGNBPUBPQQWTDPS-ATVHPVEESA-N
XLogP3.00
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine oxide
CID 14642521
1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide
CID 139265449
1-phenyl-N-(1-phenylethyl)methanimine oxide
CID 23248118
1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
CID 11042403
1-phenyl-N-propan-2-ylmethanimine oxide
CID 10397124
1-phenyl-N-(1-pyridin-4-ylbut-3-enyl)methanimine oxide
CID 5336966
1-phenyl-N-[(1S)-1-pyridin-4-ylbut-3-enyl]methanimine oxide
CID 2276429
O-(2-methoxy-1-phenylethyl)hydroxylamine
CID 14103730
[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene
CID 22140522
1-(furan-2-yl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
CID 134996991
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-methoxypropan-2-ylbenzene;uranium
CID 145056385

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide (CID 14642518) is N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide is COCC(c1ccccc1)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide?
The InChIKey is GNBPUBPQQWTDPS-ATVHPVEESA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-13-16(15-10-6-3-7-11-15)17(18)12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12-.
What are the key properties of N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide?
N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide has a molecular weight of 255.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 14642518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).