1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine

C16H17NO — CID 72760871

IUPAC1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine
SMILESCOc1ccccc1/C=N/C(C)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(14-8-4-3-5-9-14)17-12-15-10-6-7-11-16(15)18-2/h3-13H,1-2H3/b17-12+
InChIKeyZZDLXOXXHLYGBV-SFQUDFHCSA-N
MW239.32 g/mol
LogP3.88
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine

1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine (PubChem CID 72760871) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine
PubChem CID72760871
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine
SMILESCOc1ccccc1/C=N/C(C)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(14-8-4-3-5-9-14)17-12-15-10-6-7-11-16(15)18-2/h3-13H,1-2H3/b17-12+
InChIKeyZZDLXOXXHLYGBV-SFQUDFHCSA-N
XLogP3.88
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 ≤ 53.88
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 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine (CID 72760871) is 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine is COc1ccccc1/C=N/C(C)c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine?
The InChIKey is ZZDLXOXXHLYGBV-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO/c1-13(14-8-4-3-5-9-14)17-12-15-10-6-7-11-16(15)18-2/h3-13H,1-2H3/b17-12+.
What are the key properties of 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine?
1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine has a molecular weight of 239.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(1-phenylethyl)methanimine is sourced from PubChem (CID 72760871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).