7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol

C21H24N2O — CID 143825780

IUPAC7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol
SMILESOc1ccc2c(c1)c1c(n2CCc2ccccc2)CCCNCC1
InChIInChI=1S/C21H24N2O/c24-17-8-9-21-19(15-17)18-10-13-22-12-4-7-20(18)23(21)14-11-16-5-2-1-3-6-16/h1-3,5-6,8-9,15,22,24H,4,7,10-14H2
InChIKeyWEMIHQRVQRCIIR-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.67
Rot. Bonds3

About 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol

7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol (PubChem CID 143825780) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol.

Molecular Properties

Compound Name7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol
PubChem CID143825780
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol
SMILESOc1ccc2c(c1)c1c(n2CCc2ccccc2)CCCNCC1
InChIInChI=1S/C21H24N2O/c24-17-8-9-21-19(15-17)18-10-13-22-12-4-7-20(18)23(21)14-11-16-5-2-1-3-6-16/h1-3,5-6,8-9,15,22,24H,4,7,10-14H2
InChIKeyWEMIHQRVQRCIIR-UHFFFAOYSA-N
XLogP3.67
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol 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 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol?
The IUPAC name of 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol (CID 143825780) is 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol.
What is the SMILES notation for 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol?
The canonical SMILES for 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol is Oc1ccc2c(c1)c1c(n2CCc2ccccc2)CCCNCC1.
What is the InChIKey of 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol?
The InChIKey is WEMIHQRVQRCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-17-8-9-21-19(15-17)18-10-13-22-12-4-7-20(18)23(21)14-11-16-5-2-1-3-6-16/h1-3,5-6,8-9,15,22,24H,4,7,10-14H2.
What are the key properties of 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol?
7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol has a molecular weight of 320.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethyl)-1,2,3,4,5,6-hexahydroazocino[5,4-b]indol-10-ol is sourced from PubChem (CID 143825780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).