1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine

C17H19NO — CID 126216277

IUPAC1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine
SMILESCCOc1cccc(/C=N/c2ccc(CC)cc2)c1
InChIInChI=1S/C17H19NO/c1-3-14-8-10-16(11-9-14)18-13-15-6-5-7-17(12-15)19-4-2/h5-13H,3-4H2,1-2H3/b18-13+
InChIKeyDIRCFNPIYDEIOE-QGOAFFKASA-N
MW253.34 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine

1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine (PubChem CID 126216277) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine
PubChem CID126216277
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine
SMILESCCOc1cccc(/C=N/c2ccc(CC)cc2)c1
InChIInChI=1S/C17H19NO/c1-3-14-8-10-16(11-9-14)18-13-15-6-5-7-17(12-15)19-4-2/h5-13H,3-4H2,1-2H3/b18-13+
InChIKeyDIRCFNPIYDEIOE-QGOAFFKASA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126205496
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745
[3-[(4-ethylphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126220218
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
[3-[(4-ethoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126207081
N-butyl-1-(3-ethoxyphenyl)methanimine
CID 584358
1-ethenyl-3-ethoxybenzene
CID 11672687
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine (CID 126216277) is 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine is CCOc1cccc(/C=N/c2ccc(CC)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine?
The InChIKey is DIRCFNPIYDEIOE-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19NO/c1-3-14-8-10-16(11-9-14)18-13-15-6-5-7-17(12-15)19-4-2/h5-13H,3-4H2,1-2H3/b18-13+.
What are the key properties of 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine?
1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine has a molecular weight of 253.34 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126216277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).