4-(ethoxyiminomethyl)aniline

C9H12N2O — CID 123299913

IUPAC4-(ethoxyiminomethyl)aniline
SMILESCCON=Cc1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-2-12-11-7-8-3-5-9(10)6-4-8/h3-7H,2,10H2,1H3
InChIKeyOPLLHCHFRSDXIT-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.64
Rot. Bonds3

About 4-(ethoxyiminomethyl)aniline

4-(ethoxyiminomethyl)aniline (PubChem CID 123299913) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(ethoxyiminomethyl)aniline.

Molecular Properties

Compound Name4-(ethoxyiminomethyl)aniline
PubChem CID123299913
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-(ethoxyiminomethyl)aniline
SMILESCCON=Cc1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-2-12-11-7-8-3-5-9(10)6-4-8/h3-7H,2,10H2,1H3
InChIKeyOPLLHCHFRSDXIT-UHFFFAOYSA-N
XLogP1.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethoxy-1-(4-nitrosophenyl)methanimine
CID 126675164
N-ethoxy-1-[4-(2-methylphenyl)phenyl]methanimine
CID 72558105
(E)-N-ethoxy-1-naphthalen-2-ylmethanimine
CID 89064505
5-(ethoxyiminomethyl)benzene-1,2,3-triol
CID 136660682
4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151
1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine
CID 142418631
ethyl 3-[(E)-(4-nitrophenyl)methylideneamino]oxypropanoate
CID 11425592
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
4-[(dimethylhydrazinylidene)methyl]aniline
CID 123147068
1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
CID 58684150
(E)-N-ethoxy-1-(2-methylphenyl)methanimine
CID 88956534
4-(4-aminophenyl)aniline;ethoxyphosphane
CID 175385219

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxyiminomethyl)aniline?
The IUPAC name of 4-(ethoxyiminomethyl)aniline (CID 123299913) is 4-(ethoxyiminomethyl)aniline.
What is the SMILES notation for 4-(ethoxyiminomethyl)aniline?
The canonical SMILES for 4-(ethoxyiminomethyl)aniline is CCON=Cc1ccc(N)cc1.
What is the InChIKey of 4-(ethoxyiminomethyl)aniline?
The InChIKey is OPLLHCHFRSDXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-12-11-7-8-3-5-9(10)6-4-8/h3-7H,2,10H2,1H3.
What are the key properties of 4-(ethoxyiminomethyl)aniline?
4-(ethoxyiminomethyl)aniline has a molecular weight of 164.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxyiminomethyl)aniline is sourced from PubChem (CID 123299913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).