N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine

C22H20F2N2O — CID 139218687

IUPACN-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
SMILESCCc1ccc(CCOc2ccc(/C=N/c3cc(F)cc(F)c3)cc2)nc1
InChIInChI=1S/C22H20F2N2O/c1-2-16-3-6-20(25-14-16)9-10-27-22-7-4-17(5-8-22)15-26-21-12-18(23)11-19(24)13-21/h3-8,11-15H,2,9-10H2,1H3/b26-15+
InChIKeyWEWFZOSNQSPGJP-CVKSISIWSA-N
MW366.41 g/mol
LogP5.29
Rot. Bonds7

About N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine

N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine (PubChem CID 139218687) has the molecular formula C22H20F2N2O and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
PubChem CID139218687
Molecular FormulaC22H20F2N2O
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC NameN-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
SMILESCCc1ccc(CCOc2ccc(/C=N/c3cc(F)cc(F)c3)cc2)nc1
InChIInChI=1S/C22H20F2N2O/c1-2-16-3-6-20(25-14-16)9-10-27-22-7-4-17(5-8-22)15-26-21-12-18(23)11-19(24)13-21/h3-8,11-15H,2,9-10H2,1H3/b26-15+
InChIKeyWEWFZOSNQSPGJP-CVKSISIWSA-N
XLogP5.29
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bisacodyl
CID 2391
(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
Pilavapadin
CID 118419773
(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
7-Benzyloxyquinoline
CID 3035604
4-Methoxyquinoline
CID 521938
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
The IUPAC name of N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine (CID 139218687) is N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine.
What is the SMILES notation for N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
The canonical SMILES for N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine is CCc1ccc(CCOc2ccc(/C=N/c3cc(F)cc(F)c3)cc2)nc1.
What is the InChIKey of N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
The InChIKey is WEWFZOSNQSPGJP-CVKSISIWSA-N. The full InChI is InChI=1S/C22H20F2N2O/c1-2-16-3-6-20(25-14-16)9-10-27-22-7-4-17(5-8-22)15-26-21-12-18(23)11-19(24)13-21/h3-8,11-15H,2,9-10H2,1H3/b26-15+.
What are the key properties of N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine has a molecular weight of 366.41 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine is sourced from PubChem (CID 139218687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).