2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine

C17H19N3O — CID 89024435

IUPAC2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
SMILESCCn1c(-c2ccc(N)cc2)c(N)c2cc(OC)ccc21
InChIInChI=1S/C17H19N3O/c1-3-20-15-9-8-13(21-2)10-14(15)16(19)17(20)11-4-6-12(18)7-5-11/h4-10H,3,18-19H2,1-2H3
InChIKeyWUZOSQYKXKPLAH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds3

About 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine

2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine (PubChem CID 89024435) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
PubChem CID89024435
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
SMILESCCn1c(-c2ccc(N)cc2)c(N)c2cc(OC)ccc21
InChIInChI=1S/C17H19N3O/c1-3-20-15-9-8-13(21-2)10-14(15)16(19)17(20)11-4-6-12(18)7-5-11/h4-10H,3,18-19H2,1-2H3
InChIKeyWUZOSQYKXKPLAH-UHFFFAOYSA-N
XLogP3.50
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine?
The IUPAC name of 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine (CID 89024435) is 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine.
What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine?
The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine is CCn1c(-c2ccc(N)cc2)c(N)c2cc(OC)ccc21.
What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine?
The InChIKey is WUZOSQYKXKPLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-20-15-9-8-13(21-2)10-14(15)16(19)17(20)11-4-6-12(18)7-5-11/h4-10H,3,18-19H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine?
2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine has a molecular weight of 281.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine is sourced from PubChem (CID 89024435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).