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

C22H20Cl2N2O — CID 139218679

IUPACN-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
SMILESCCc1ccc(CCOc2ccc(/C=N/c3ccc(Cl)c(Cl)c3)cc2)nc1
InChIInChI=1S/C22H20Cl2N2O/c1-2-16-3-6-18(25-14-16)11-12-27-20-8-4-17(5-9-20)15-26-19-7-10-21(23)22(24)13-19/h3-10,13-15H,2,11-12H2,1H3/b26-15+
InChIKeyHQRODZGOAINBTE-CVKSISIWSA-N
MW399.32 g/mol
LogP6.32
Rot. Bonds7

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

N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine (PubChem CID 139218679) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
PubChem CID139218679
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC NameN-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
SMILESCCc1ccc(CCOc2ccc(/C=N/c3ccc(Cl)c(Cl)c3)cc2)nc1
InChIInChI=1S/C22H20Cl2N2O/c1-2-16-3-6-18(25-14-16)11-12-27-20-8-4-17(5-9-20)15-26-19-7-10-21(23)22(24)13-19/h3-10,13-15H,2,11-12H2,1H3/b26-15+
InChIKeyHQRODZGOAINBTE-CVKSISIWSA-N
XLogP6.32
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.32
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

N-(3-chloro-4-methylphenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
CID 139218684
4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide
CID 11711221
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
CID 66926885
2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde
CID 158188022
2-bromo-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]prop-2-enoic acid
CID 141245555
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
CID 87789776
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217
2-chloro-4-[(4-pentoxyphenyl)methylideneamino]aniline
CID 139688830
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 14211277
(5Z)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydron;chloride
CID 87789988

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine (CID 139218679) is N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine is CCc1ccc(CCOc2ccc(/C=N/c3ccc(Cl)c(Cl)c3)cc2)nc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
The InChIKey is HQRODZGOAINBTE-CVKSISIWSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-2-16-3-6-18(25-14-16)11-12-27-20-8-4-17(5-9-20)15-26-19-7-10-21(23)22(24)13-19/h3-10,13-15H,2,11-12H2,1H3/b26-15+.
What are the key properties of N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine?
N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine has a molecular weight of 399.32 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine is sourced from PubChem (CID 139218679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).