2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline

C19H22N2O — CID 126763468

IUPAC2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline
SMILESC=C(OCC)c1cccc(/N=C/c2cc(C)cc(C)c2N)c1
InChIInChI=1S/C19H22N2O/c1-5-22-15(4)16-7-6-8-18(11-16)21-12-17-10-13(2)9-14(3)19(17)20/h6-12H,4-5,20H2,1-3H3/b21-12+
InChIKeyTXSPSIJPSLDBSN-CIAFOILYSA-N
MW294.40 g/mol
LogP4.64
Rot. Bonds5

About 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline

2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline (PubChem CID 126763468) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline
PubChem CID126763468
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline
SMILESC=C(OCC)c1cccc(/N=C/c2cc(C)cc(C)c2N)c1
InChIInChI=1S/C19H22N2O/c1-5-22-15(4)16-7-6-8-18(11-16)21-12-17-10-13(2)9-14(3)19(17)20/h6-12H,4-5,20H2,1-3H3/b21-12+
InChIKeyTXSPSIJPSLDBSN-CIAFOILYSA-N
XLogP4.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene
CID 146207434
ethyl 3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzoate
CID 4257096
4-(1-ethoxyethenyl)-2-methylbenzaldehyde
CID 165464343
4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol
CID 176556621
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
ethyl 3-[(2-hydroxy-6-oxocyclohexen-1-yl)methylideneamino]benzoate
CID 135470572
ethyl 3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoate
CID 4200499
ethyl 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate
CID 1109672
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
ethyl 4-[(2-hydroxy-3-iodo-5-methylphenyl)methylideneamino]benzoate
CID 4095582
4-methyl-2-(phenyliminomethyl)aniline
CID 139726369
3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline?
The IUPAC name of 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline (CID 126763468) is 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline?
The canonical SMILES for 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline is C=C(OCC)c1cccc(/N=C/c2cc(C)cc(C)c2N)c1.
What is the InChIKey of 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline?
The InChIKey is TXSPSIJPSLDBSN-CIAFOILYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-5-22-15(4)16-7-6-8-18(11-16)21-12-17-10-13(2)9-14(3)19(17)20/h6-12H,4-5,20H2,1-3H3/b21-12+.
What are the key properties of 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline?
2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline has a molecular weight of 294.40 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline is sourced from PubChem (CID 126763468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).