2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile

C18H17N3O — CID 11601736

IUPAC2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C18H17N3O/c1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12/h4-10H,3,20H2,1-2H3
InChIKeyLZMAQAOQKOBPGN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.79
Rot. Bonds3

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

2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 11601736) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile
PubChem CID11601736
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C18H17N3O/c1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12/h4-10H,3,20H2,1-2H3
InChIKeyLZMAQAOQKOBPGN-UHFFFAOYSA-N
XLogP3.79
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile (CID 11601736) is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile is CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The InChIKey is LZMAQAOQKOBPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12/h4-10H,3,20H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 11601736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).