[2-(3-phenylprop-2-enoxy)phenyl]methanimine

C16H15NO — CID 173167244

IUPAC[2-(3-phenylprop-2-enoxy)phenyl]methanimine
SMILES[H]/N=C/c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C16H15NO/c17-13-15-10-4-5-11-16(15)18-12-6-9-14-7-2-1-3-8-14/h1-11,13,17H,12H2/b9-6?,17-13+
InChIKeyXXMXWDAQRDRFPV-HVXNJBCNSA-N
MW237.30 g/mol
LogP3.78
Rot. Bonds5

About [2-(3-phenylprop-2-enoxy)phenyl]methanimine

[2-(3-phenylprop-2-enoxy)phenyl]methanimine (PubChem CID 173167244) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(3-phenylprop-2-enoxy)phenyl]methanimine.

Molecular Properties

Compound Name[2-(3-phenylprop-2-enoxy)phenyl]methanimine
PubChem CID173167244
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name[2-(3-phenylprop-2-enoxy)phenyl]methanimine
SMILES[H]/N=C/c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C16H15NO/c17-13-15-10-4-5-11-16(15)18-12-6-9-14-7-2-1-3-8-14/h1-11,13,17H,12H2/b9-6?,17-13+
InChIKeyXXMXWDAQRDRFPV-HVXNJBCNSA-N
XLogP3.78
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
4-fluoro-2-nitroso-1-[(Z)-3-phenylprop-2-enoxy]benzene
CID 89128134
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
1-methoxy-2-[(E)-3-phenoxyprop-1-enyl]benzene
CID 67215541
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylprop-2-enoxy)phenyl]methanimine?
The IUPAC name of [2-(3-phenylprop-2-enoxy)phenyl]methanimine (CID 173167244) is [2-(3-phenylprop-2-enoxy)phenyl]methanimine.
What is the SMILES notation for [2-(3-phenylprop-2-enoxy)phenyl]methanimine?
The canonical SMILES for [2-(3-phenylprop-2-enoxy)phenyl]methanimine is [H]/N=C/c1ccccc1OCC=Cc1ccccc1.
What is the InChIKey of [2-(3-phenylprop-2-enoxy)phenyl]methanimine?
The InChIKey is XXMXWDAQRDRFPV-HVXNJBCNSA-N. The full InChI is InChI=1S/C16H15NO/c17-13-15-10-4-5-11-16(15)18-12-6-9-14-7-2-1-3-8-14/h1-11,13,17H,12H2/b9-6?,17-13+.
What are the key properties of [2-(3-phenylprop-2-enoxy)phenyl]methanimine?
[2-(3-phenylprop-2-enoxy)phenyl]methanimine has a molecular weight of 237.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylprop-2-enoxy)phenyl]methanimine is sourced from PubChem (CID 173167244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).