N-benzyl-2-(methoxymethoxy)-2-phenylethanimine

C17H19NO2 — CID 15530566

IUPACN-benzyl-2-(methoxymethoxy)-2-phenylethanimine
SMILESCOCOC(/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-19-14-20-17(16-10-6-3-7-11-16)13-18-12-15-8-4-2-5-9-15/h2-11,13,17H,12,14H2,1H3/b18-13+
InChIKeyMDSLYTYZSZOQNH-QGOAFFKASA-N
MW269.34 g/mol
LogP3.62
Rot. Bonds7

About N-benzyl-2-(methoxymethoxy)-2-phenylethanimine

N-benzyl-2-(methoxymethoxy)-2-phenylethanimine (PubChem CID 15530566) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-2-(methoxymethoxy)-2-phenylethanimine.

Molecular Properties

Compound NameN-benzyl-2-(methoxymethoxy)-2-phenylethanimine
PubChem CID15530566
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-2-(methoxymethoxy)-2-phenylethanimine
SMILESCOCOC(/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-19-14-20-17(16-10-6-3-7-11-16)13-18-12-15-8-4-2-5-9-15/h2-11,13,17H,12,14H2,1H3/b18-13+
InChIKeyMDSLYTYZSZOQNH-QGOAFFKASA-N
XLogP3.62
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
CID 154699761
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
Mveveebnmblbjg-pmacekpbsa-
CID 10860732
(2S)-N-(2,3-Dibenzyloxypropylidene)benzylamine
CID 10959323
butyl [3-(2-fluorophenyl)-5H-2-benzazepin-5-yl] carbonate
CID 70555271
6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-2H-1,4-oxazine
CID 88115048
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-2H-1,4-oxazine
CID 88184979
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 156226445
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]propan-1-imine
CID 156226446
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
CID 167270501
N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 5889185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(methoxymethoxy)-2-phenylethanimine?
The IUPAC name of N-benzyl-2-(methoxymethoxy)-2-phenylethanimine (CID 15530566) is N-benzyl-2-(methoxymethoxy)-2-phenylethanimine.
What is the SMILES notation for N-benzyl-2-(methoxymethoxy)-2-phenylethanimine?
The canonical SMILES for N-benzyl-2-(methoxymethoxy)-2-phenylethanimine is COCOC(/C=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(methoxymethoxy)-2-phenylethanimine?
The InChIKey is MDSLYTYZSZOQNH-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-14-20-17(16-10-6-3-7-11-16)13-18-12-15-8-4-2-5-9-15/h2-11,13,17H,12,14H2,1H3/b18-13+.
What are the key properties of N-benzyl-2-(methoxymethoxy)-2-phenylethanimine?
N-benzyl-2-(methoxymethoxy)-2-phenylethanimine has a molecular weight of 269.34 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(methoxymethoxy)-2-phenylethanimine is sourced from PubChem (CID 15530566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).