1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine

C19H14ClNO — CID 913593

IUPAC1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H14ClNO/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18/h1-14H/b21-14+
InChIKeyFVDUHVXYNDNZEK-KGENOOAVSA-N
MW307.78 g/mol
LogP5.88
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine

1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 913593) has the molecular formula C19H14ClNO and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine
PubChem CID913593
Molecular FormulaC19H14ClNO
Molecular Weight307.78 g/mol
Exact Mass307.08
IUPAC Name1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H14ClNO/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18/h1-14H/b21-14+
InChIKeyFVDUHVXYNDNZEK-KGENOOAVSA-N
XLogP5.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.78
LogP ≤ 55.88
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-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine (CID 913593) is 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine is Clc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine?
The InChIKey is FVDUHVXYNDNZEK-KGENOOAVSA-N. The full InChI is InChI=1S/C19H14ClNO/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18/h1-14H/b21-14+.
What are the key properties of 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine?
1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 307.78 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 913593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).