(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine

C19H20N2O — CID 135538416

IUPAC(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
SMILESCCc1cccc2c(/C=N/OCc3ccc(C)cc3)c[nH]c12
InChIInChI=1S/C19H20N2O/c1-3-16-5-4-6-18-17(11-20-19(16)18)12-21-22-13-15-9-7-14(2)8-10-15/h4-12,20H,3,13H2,1-2H3/b21-12+
InChIKeyVKXMMWCSKOQWJQ-CIAFOILYSA-N
MW292.38 g/mol
LogP4.59
Rot. Bonds5

About (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine

(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine (PubChem CID 135538416) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
PubChem CID135538416
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
SMILESCCc1cccc2c(/C=N/OCc3ccc(C)cc3)c[nH]c12
InChIInChI=1S/C19H20N2O/c1-3-16-5-4-6-18-17(11-20-19(16)18)12-21-22-13-15-9-7-14(2)8-10-15/h4-12,20H,3,13H2,1-2H3/b21-12+
InChIKeyVKXMMWCSKOQWJQ-CIAFOILYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
CID 2550408
(E)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(7-ethyl-1H-indol-3-yl)methanimine
CID 135830070
4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 135734076
7-ethyl-3-methyl-1H-indole
CID 13271010
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535
(E)-3-(7-ethyl-1H-indol-3-yl)prop-2-enoic acid
CID 76847871
3-[(2,6-dimethylphenoxy)methyl]-4-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 135767762
(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 137309965
(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine
CID 137309961
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 2710523

Frequently Asked Questions

What is the IUPAC name of (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine (CID 135538416) is (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine is CCc1cccc2c(/C=N/OCc3ccc(C)cc3)c[nH]c12.
What is the InChIKey of (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine?
The InChIKey is VKXMMWCSKOQWJQ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-16-5-4-6-18-17(11-20-19(16)18)12-21-22-13-15-9-7-14(2)8-10-15/h4-12,20H,3,13H2,1-2H3/b21-12+.
What are the key properties of (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine?
(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine has a molecular weight of 292.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 135538416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).