2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile

C116H110F3N13O9 — CID 160634767

IUPAC2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccccc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H24N2O.C20H20N2O2.C19H15F3N2O2.C19H18N2O2.C18H17N3O.C18H16N2O/c1-6-24-20-13-17(25-5)11-12-18(20)19(14-23)21(24)15-7-9-16(10-8-15)22(2,3)4;1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2;1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-4-21-18-11-15(23-3)9-10-16(18)17(12-20)19(21)13-5-7-14(22-2)8-6-13;1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-3-20-17-11-14(21-2)9-10-15(17)16(12-19)18(20)13-7-5-4-6-8-13/h7-13H,6H2,1-5H3;6-12H,4-5H2,1-3H3;4-10H,3H2,1-2H3;5-11H,4H2,1-3H3;4-10H,3,20H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyRIJWTUVVMWTUFW-UHFFFAOYSA-N
MW1887.23 g/mol
LogP27.44
Rot. Bonds22

About 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile

2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile (PubChem CID 160634767) has the molecular formula C116H110F3N13O9 and a molecular weight of 1887.23 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
PubChem CID160634767
Molecular FormulaC116H110F3N13O9
Molecular Weight1887.23 g/mol
Exact Mass1885.85
IUPAC Name2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccccc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H24N2O.C20H20N2O2.C19H15F3N2O2.C19H18N2O2.C18H17N3O.C18H16N2O/c1-6-24-20-13-17(25-5)11-12-18(20)19(14-23)21(24)15-7-9-16(10-8-15)22(2,3)4;1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2;1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-4-21-18-11-15(23-3)9-10-16(18)17(12-20)19(21)13-5-7-14(22-2)8-6-13;1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-3-20-17-11-14(21-2)9-10-15(17)16(12-19)18(20)13-7-5-4-6-8-13/h7-13H,6H2,1-5H3;6-12H,4-5H2,1-3H3;4-10H,3H2,1-2H3;5-11H,4H2,1-3H3;4-10H,3,20H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyRIJWTUVVMWTUFW-UHFFFAOYSA-N
XLogP27.44
TPSA281.41 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.23
LogP ≤ 527.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile with MolForge

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Related Compounds

N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile
CID 90774172
2-[4,5-Bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2-cyanophenyl)phenyl]-4-[[9-[4,5-bis(3-cyanophenyl)-2-(2,7-dimethoxycarbazol-9-yl)phenyl]-7-methoxycarbazol-2-yl]oxymethyl]benzonitrile
CID 132112062
N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile
CID 157091991
2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)
CID 157108999
2-(3-Aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile
CID 157115071
2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)
CID 157141755
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
CID 157180715
2-(3-Aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157250561
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157480518
2-(3-Aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile;1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157574609
N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 157618931
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 157845134

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile (CID 160634767) is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile is CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccccc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
The InChIKey is RIJWTUVVMWTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O.C20H20N2O2.C19H15F3N2O2.C19H18N2O2.C18H17N3O.C18H16N2O/c1-6-24-20-13-17(25-5)11-12-18(20)19(14-23)21(24)15-7-9-16(10-8-15)22(2,3)4;1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2;1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-4-21-18-11-15(23-3)9-10-16(18)17(12-20)19(21)13-5-7-14(22-2)8-6-13;1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-3-20-17-11-14(21-2)9-10-15(17)16(12-19)18(20)13-7-5-4-6-8-13/h7-13H,6H2,1-5H3;6-12H,4-5H2,1-3H3;4-10H,3H2,1-2H3;5-11H,4H2,1-3H3;4-10H,3,20H2,1-2H3;4-11H,3H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile has a molecular weight of 1887.23 g/mol, XLogP of 27.44, 22 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 160634767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).