N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine

C17H15FN2O — CID 54289846

IUPACN-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine
SMILESC=CCOc1ccc(C=NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O/c1-2-11-21-17-9-5-15(6-10-17)13-20-19-12-14-3-7-16(18)8-4-14/h2-10,12-13H,1,11H2
InChIKeyRWSIOPFVERKIHY-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.84
Rot. Bonds6

About N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine

N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine (PubChem CID 54289846) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine
PubChem CID54289846
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine
SMILESC=CCOc1ccc(C=NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O/c1-2-11-21-17-9-5-15(6-10-17)13-20-19-12-14-3-7-16(18)8-4-14/h2-10,12-13H,1,11H2
InChIKeyRWSIOPFVERKIHY-UHFFFAOYSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 19368344
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine
CID 139217442
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
4-[[(4-fluorophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136628037
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5333365
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 16520420

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine (CID 54289846) is N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine is C=CCOc1ccc(C=NN=Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine?
The InChIKey is RWSIOPFVERKIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-11-21-17-9-5-15(6-10-17)13-20-19-12-14-3-7-16(18)8-4-14/h2-10,12-13H,1,11H2.
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine?
N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine has a molecular weight of 282.32 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine is sourced from PubChem (CID 54289846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).