N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine

C24H24N2O2 — CID 632961

IUPACN-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine
SMILESCCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-27-23-13-9-21(10-14-23)25-17-19-5-7-20(8-6-19)18-26-22-11-15-24(16-12-22)28-4-2/h5-18H,3-4H2,1-2H3/b25-17+,26-18+
InChIKeyKSHALPAIUOUGBA-RPCRKUJJSA-N
MW372.47 g/mol
LogP5.99
Rot. Bonds8

About N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine

N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine (PubChem CID 632961) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine
PubChem CID632961
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine
SMILESCCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-27-23-13-9-21(10-14-23)25-17-19-5-7-20(8-6-19)18-26-22-11-15-24(16-12-22)28-4-2/h5-18H,3-4H2,1-2H3/b25-17+,26-18+
InChIKeyKSHALPAIUOUGBA-RPCRKUJJSA-N
XLogP5.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine (CID 632961) is N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine is CCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCC)cc3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine?
The InChIKey is KSHALPAIUOUGBA-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-27-23-13-9-21(10-14-23)25-17-19-5-7-20(8-6-19)18-26-22-11-15-24(16-12-22)28-4-2/h5-18H,3-4H2,1-2H3/b25-17+,26-18+.
What are the key properties of N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine?
N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine has a molecular weight of 372.47 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 632961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).