2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine

C20H23N3O — CID 89344162

IUPAC2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine
SMILESCCOc1ccc2c(c1)c(N)c(-c1ccc(N)cc1)n2C1CCC1
InChIInChI=1S/C20H23N3O/c1-2-24-16-10-11-18-17(12-16)19(22)20(23(18)15-4-3-5-15)13-6-8-14(21)9-7-13/h6-12,15H,2-5,21-22H2,1H3
InChIKeyKPPZCNMKCHVPSW-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine

2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine (PubChem CID 89344162) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine
PubChem CID89344162
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine
SMILESCCOc1ccc2c(c1)c(N)c(-c1ccc(N)cc1)n2C1CCC1
InChIInChI=1S/C20H23N3O/c1-2-24-16-10-11-18-17(12-16)19(22)20(23(18)15-4-3-5-15)13-6-8-14(21)9-7-13/h6-12,15H,2-5,21-22H2,1H3
InChIKeyKPPZCNMKCHVPSW-UHFFFAOYSA-N
XLogP4.60
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
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-cyclobutyl-5-ethoxyindol-3-amine?
The IUPAC name of 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine (CID 89344162) is 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine.
What is the SMILES notation for 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine?
The canonical SMILES for 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine is CCOc1ccc2c(c1)c(N)c(-c1ccc(N)cc1)n2C1CCC1.
What is the InChIKey of 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine?
The InChIKey is KPPZCNMKCHVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-24-16-10-11-18-17(12-16)19(22)20(23(18)15-4-3-5-15)13-6-8-14(21)9-7-13/h6-12,15H,2-5,21-22H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine?
2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine has a molecular weight of 321.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine is sourced from PubChem (CID 89344162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).