N-benzyl-1-(2-methoxyphenyl)ethanimine

C16H17NO — CID 14242573

IUPACN-benzyl-1-(2-methoxyphenyl)ethanimine
SMILESCOc1ccccc1/C(C)=N/Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-13(15-10-6-7-11-16(15)18-2)17-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3/b17-13+
InChIKeyCIJFQPNWXIJBTL-GHRIWEEISA-N
MW239.32 g/mol
LogP3.70
Rot. Bonds4

About N-benzyl-1-(2-methoxyphenyl)ethanimine

N-benzyl-1-(2-methoxyphenyl)ethanimine (PubChem CID 14242573) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-benzyl-1-(2-methoxyphenyl)ethanimine.

Molecular Properties

Compound NameN-benzyl-1-(2-methoxyphenyl)ethanimine
PubChem CID14242573
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-benzyl-1-(2-methoxyphenyl)ethanimine
SMILESCOc1ccccc1/C(C)=N/Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-13(15-10-6-7-11-16(15)18-2)17-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3/b17-13+
InChIKeyCIJFQPNWXIJBTL-GHRIWEEISA-N
XLogP3.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.70
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-1-(2-methoxyphenyl)ethanimine?
The IUPAC name of N-benzyl-1-(2-methoxyphenyl)ethanimine (CID 14242573) is N-benzyl-1-(2-methoxyphenyl)ethanimine.
What is the SMILES notation for N-benzyl-1-(2-methoxyphenyl)ethanimine?
The canonical SMILES for N-benzyl-1-(2-methoxyphenyl)ethanimine is COc1ccccc1/C(C)=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-methoxyphenyl)ethanimine?
The InChIKey is CIJFQPNWXIJBTL-GHRIWEEISA-N. The full InChI is InChI=1S/C16H17NO/c1-13(15-10-6-7-11-16(15)18-2)17-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3/b17-13+.
What are the key properties of N-benzyl-1-(2-methoxyphenyl)ethanimine?
N-benzyl-1-(2-methoxyphenyl)ethanimine has a molecular weight of 239.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methoxyphenyl)ethanimine is sourced from PubChem (CID 14242573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).