1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine

C25H24N2O — CID 144937984

IUPAC1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
SMILES[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccccc2)c2ccc(OCC)cc12
InChIInChI=1S/C25H24N2O/c1-3-28-21-13-14-25-22(16-21)23(17-27(25)20-11-5-4-6-12-20)24(26)15-19-10-8-7-9-18(19)2/h4-14,16-17,26H,3,15H2,1-2H3/b26-24-
InChIKeyBARLNOMALCTYIX-LCUIJRPUSA-N
MW368.48 g/mol
LogP5.95
Rot. Bonds6

About 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine

1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine (PubChem CID 144937984) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
PubChem CID144937984
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
SMILES[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccccc2)c2ccc(OCC)cc12
InChIInChI=1S/C25H24N2O/c1-3-28-21-13-14-25-22(16-21)23(17-27(25)20-11-5-4-6-12-20)24(26)15-19-10-8-7-9-18(19)2/h4-14,16-17,26H,3,15H2,1-2H3/b26-24-
InChIKeyBARLNOMALCTYIX-LCUIJRPUSA-N
XLogP5.95
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937853
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
CID 144937970
3-[(3-ethoxyphenyl)methyl]-1-phenylindole
CID 26367926
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
methyl 1-(3,5-diethoxyphenyl)-4-oxo-7-phenylmethoxyquinoline-3-carboxylate
CID 139963868
1-benzyl-6-ethoxy-3-methylindole
CID 15128551
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
CID 144937942
4-[5-(2-methoxyethoxy)-3-methylindol-1-yl]benzoic acid
CID 163625223
4-[3-amino-5-(2-ethoxyethoxy)indol-1-yl]benzoic acid
CID 67518606
3-[1-(benzenesulfonyl)-5-ethoxyindol-3-yl]propanoic acid
CID 18449977
ethyl (E)-3-[1-[4-(2-hydroxyethoxy)phenyl]-3-(2-phenylethyl)indol-5-yl]prop-2-enoate
CID 59317776

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine?
The IUPAC name of 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine (CID 144937984) is 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine.
What is the SMILES notation for 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine?
The canonical SMILES for 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine is [H]/N=C(/Cc1ccccc1C)c1cn(-c2ccccc2)c2ccc(OCC)cc12.
What is the InChIKey of 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine?
The InChIKey is BARLNOMALCTYIX-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H24N2O/c1-3-28-21-13-14-25-22(16-21)23(17-27(25)20-11-5-4-6-12-20)24(26)15-19-10-8-7-9-18(19)2/h4-14,16-17,26H,3,15H2,1-2H3/b26-24-.
What are the key properties of 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine?
1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine has a molecular weight of 368.48 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine is sourced from PubChem (CID 144937984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).