1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine

C19H23NO3 — CID 600803

IUPAC1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCC)cc2OCC)cc1
InChIInChI=1S/C19H23NO3/c1-4-21-17-11-8-16(9-12-17)20-14-15-7-10-18(22-5-2)13-19(15)23-6-3/h7-14H,4-6H2,1-3H3/b20-14+
InChIKeyMPXWGURZLLJGNI-XSFVSMFZSA-N
MW313.40 g/mol
LogP4.63
Rot. Bonds8

About 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine

1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine (PubChem CID 600803) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
PubChem CID600803
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCC)cc2OCC)cc1
InChIInChI=1S/C19H23NO3/c1-4-21-17-11-8-16(9-12-17)20-14-15-7-10-18(22-5-2)13-19(15)23-6-3/h7-14H,4-6H2,1-3H3/b20-14+
InChIKeyMPXWGURZLLJGNI-XSFVSMFZSA-N
XLogP4.63
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.63
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

3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507423
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 4575750
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
CID 135843252
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126099886

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine (CID 600803) is 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2ccc(OCC)cc2OCC)cc1.
What is the InChIKey of 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The InChIKey is MPXWGURZLLJGNI-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-21-17-11-8-16(9-12-17)20-14-15-7-10-18(22-5-2)13-19(15)23-6-3/h7-14H,4-6H2,1-3H3/b20-14+.
What are the key properties of 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine has a molecular weight of 313.40 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 600803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).