N-benzyl-2-methoxy-2-phenylethanimine

C16H17NO — CID 10999105

IUPACN-benzyl-2-methoxy-2-phenylethanimine
SMILESCOC(/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-18-16(15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/b17-13+
InChIKeyPNEYOEOSGZKFIA-GHRIWEEISA-N
MW239.32 g/mol
LogP3.65
Rot. Bonds5

About N-benzyl-2-methoxy-2-phenylethanimine

N-benzyl-2-methoxy-2-phenylethanimine (PubChem CID 10999105) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-benzyl-2-methoxy-2-phenylethanimine.

Molecular Properties

Compound NameN-benzyl-2-methoxy-2-phenylethanimine
PubChem CID10999105
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-benzyl-2-methoxy-2-phenylethanimine
SMILESCOC(/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-18-16(15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/b17-13+
InChIKeyPNEYOEOSGZKFIA-GHRIWEEISA-N
XLogP3.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-2-phenylethanimine?
The IUPAC name of N-benzyl-2-methoxy-2-phenylethanimine (CID 10999105) is N-benzyl-2-methoxy-2-phenylethanimine.
What is the SMILES notation for N-benzyl-2-methoxy-2-phenylethanimine?
The canonical SMILES for N-benzyl-2-methoxy-2-phenylethanimine is COC(/C=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-2-phenylethanimine?
The InChIKey is PNEYOEOSGZKFIA-GHRIWEEISA-N. The full InChI is InChI=1S/C16H17NO/c1-18-16(15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/b17-13+.
What are the key properties of N-benzyl-2-methoxy-2-phenylethanimine?
N-benzyl-2-methoxy-2-phenylethanimine has a molecular weight of 239.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-2-phenylethanimine is sourced from PubChem (CID 10999105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).