(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine

C15H14ClNO — CID 134963336

IUPAC(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO/c1-12(14-7-9-15(16)10-8-14)17-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/b17-12+
InChIKeyVTNUTAJGHHKVAK-SFQUDFHCSA-N
MW259.74 g/mol
LogP4.28
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine

(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine (PubChem CID 134963336) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine
PubChem CID134963336
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO/c1-12(14-7-9-15(16)10-8-14)17-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/b17-12+
InChIKeyVTNUTAJGHHKVAK-SFQUDFHCSA-N
XLogP4.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine (CID 134963336) is (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine is C/C(=N\OCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine?
The InChIKey is VTNUTAJGHHKVAK-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-12(14-7-9-15(16)10-8-14)17-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/b17-12+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine?
(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine has a molecular weight of 259.74 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine is sourced from PubChem (CID 134963336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).