1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine

C22H20ClNO3 — CID 126099886

IUPAC1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-3-26-22-13-4-17(23)14-16(22)15-24-18-5-7-20(8-6-18)27-21-11-9-19(25-2)10-12-21/h4-15H,3H2,1-2H3/b24-15+
InChIKeyALOGJLDVUDXTBB-BUVRLJJBSA-N
MW381.86 g/mol
LogP6.29
Rot. Bonds7

About 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine

1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine (PubChem CID 126099886) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
PubChem CID126099886
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-3-26-22-13-4-17(23)14-16(22)15-24-18-5-7-20(8-6-18)27-21-11-9-19(25-2)10-12-21/h4-15H,3H2,1-2H3/b24-15+
InChIKeyALOGJLDVUDXTBB-BUVRLJJBSA-N
XLogP6.29
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216177
[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126225468
2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126214472
[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126207903
1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 600803
bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
CID 139168001
N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 4045134
1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 956032
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126101975
1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine
CID 135082909

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine (CID 126099886) is 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine is CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The InChIKey is ALOGJLDVUDXTBB-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-3-26-22-13-4-17(23)14-16(22)15-24-18-5-7-20(8-6-18)27-21-11-9-19(25-2)10-12-21/h4-15H,3H2,1-2H3/b24-15+.
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine has a molecular weight of 381.86 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 126099886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).