2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile

C20H21N3O2 — CID 59425879

IUPAC2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCOC)cc21
InChIInChI=1S/C20H21N3O2/c1-3-23-19-12-16(25-11-10-24-2)8-9-17(19)18(13-21)20(23)14-4-6-15(22)7-5-14/h4-9,12H,3,10-11,22H2,1-2H3
InChIKeyIFQYINSDNOXWKC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.81
Rot. Bonds6

About 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile

2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile (PubChem CID 59425879) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
PubChem CID59425879
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCOC)cc21
InChIInChI=1S/C20H21N3O2/c1-3-23-19-12-16(25-11-10-24-2)8-9-17(19)18(13-21)20(23)14-4-6-15(22)7-5-14/h4-9,12H,3,10-11,22H2,1-2H3
InChIKeyIFQYINSDNOXWKC-UHFFFAOYSA-N
XLogP3.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
CID 90970598
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
CID 91127779
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
CID 58694355
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate
CID 59426351

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile?
The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile (CID 59425879) is 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile.
What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile?
The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile is CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCOC)cc21.
What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile?
The InChIKey is IFQYINSDNOXWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-23-19-12-16(25-11-10-24-2)8-9-17(19)18(13-21)20(23)14-4-6-15(22)7-5-14/h4-9,12H,3,10-11,22H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile?
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile is sourced from PubChem (CID 59425879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).