N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine

C16H14ClNO — CID 46502402

IUPACN-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine
SMILESC=CCOc1ccc(/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO/c1-2-11-19-16-9-3-13(4-10-16)12-18-15-7-5-14(17)6-8-15/h2-10,12H,1,11H2/b18-12+
InChIKeyFTOHGIBHNJQONY-LDADJPATSA-N
MW271.75 g/mol
LogP4.66
Rot. Bonds5

About N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine

N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine (PubChem CID 46502402) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine
PubChem CID46502402
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC NameN-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine
SMILESC=CCOc1ccc(/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO/c1-2-11-19-16-9-3-13(4-10-16)12-18-15-7-5-14(17)6-8-15/h2-10,12H,1,11H2/b18-12+
InChIKeyFTOHGIBHNJQONY-LDADJPATSA-N
XLogP4.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine (CID 46502402) is N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine is C=CCOc1ccc(/C=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine?
The InChIKey is FTOHGIBHNJQONY-LDADJPATSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-2-11-19-16-9-3-13(4-10-16)12-18-15-7-5-14(17)6-8-15/h2-10,12H,1,11H2/b18-12+.
What are the key properties of N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine?
N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine has a molecular weight of 271.75 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-prop-2-enoxyphenyl)methanimine is sourced from PubChem (CID 46502402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).