N-benzyl-2-phenylmethoxyethanimine oxide

C16H17NO2 — CID 11832006

IUPACN-benzyl-2-phenylmethoxyethanimine oxide
SMILES[O-]/[N+](=C\COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17NO2/c18-17(13-15-7-3-1-4-8-15)11-12-19-14-16-9-5-2-6-10-16/h1-11H,12-14H2/b17-11-
InChIKeyLKDZJQQFFSQJIP-BOPFTXTBSA-N
MW255.32 g/mol
LogP2.98
Rot. Bonds6

About N-benzyl-2-phenylmethoxyethanimine oxide

N-benzyl-2-phenylmethoxyethanimine oxide (PubChem CID 11832006) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-2-phenylmethoxyethanimine oxide.

Molecular Properties

Compound NameN-benzyl-2-phenylmethoxyethanimine oxide
PubChem CID11832006
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-benzyl-2-phenylmethoxyethanimine oxide
SMILES[O-]/[N+](=C\COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17NO2/c18-17(13-15-7-3-1-4-8-15)11-12-19-14-16-9-5-2-6-10-16/h1-11H,12-14H2/b17-11-
InChIKeyLKDZJQQFFSQJIP-BOPFTXTBSA-N
XLogP2.98
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze N-benzyl-2-phenylmethoxyethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylmethoxyethanimine oxide?
The IUPAC name of N-benzyl-2-phenylmethoxyethanimine oxide (CID 11832006) is N-benzyl-2-phenylmethoxyethanimine oxide.
What is the SMILES notation for N-benzyl-2-phenylmethoxyethanimine oxide?
The canonical SMILES for N-benzyl-2-phenylmethoxyethanimine oxide is [O-]/[N+](=C\COCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-phenylmethoxyethanimine oxide?
The InChIKey is LKDZJQQFFSQJIP-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H17NO2/c18-17(13-15-7-3-1-4-8-15)11-12-19-14-16-9-5-2-6-10-16/h1-11H,12-14H2/b17-11-.
What are the key properties of N-benzyl-2-phenylmethoxyethanimine oxide?
N-benzyl-2-phenylmethoxyethanimine oxide has a molecular weight of 255.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylmethoxyethanimine oxide is sourced from PubChem (CID 11832006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).