2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine

C28H41N5O4 — CID 67973446

About 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine

2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine (PubChem CID 67973446) has the molecular formula C28H41N5O4 and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine.

Molecular Properties

• Compound Name: 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine
• PubChem CID: 67973446
• Molecular Formula: C28H41N5O4
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.32
• IUPAC Name: 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine
• SMILES: Cc1[nH]c2c(OCCN(C)C)ccc(N)c2c1C.Cc1c(C)n(CCO)c2c(OCCO)ccc(N)c12
• InChI: InChI=1S/C14H21N3O.C14H20N2O3/c1-9-10(2)16-14-12(18-8-7-17(3)4)6-5-11(15)13(9)14;1-9-10(2)16(5-6-17)14-12(19-8-7-18)4-3-11(15)13(9)14/h5-6,16H,7-8,15H2,1-4H3;3-4,17-18H,5-8,15H2,1-2H3
• InChIKey: VRRLTYQOAVOUEU-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 134.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine?

The IUPAC name of 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine (CID 67973446) is 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine.

What is the SMILES notation for 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine?

The canonical SMILES for 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine is Cc1[nH]c2c(OCCN(C)C)ccc(N)c2c1C.Cc1c(C)n(CCO)c2c(OCCO)ccc(N)c12.

What is the InChIKey of 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine?

The InChIKey is VRRLTYQOAVOUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.C14H20N2O3/c1-9-10(2)16-14-12(18-8-7-17(3)4)6-5-11(15)13(9)14;1-9-10(2)16(5-6-17)14-12(19-8-7-18)4-3-11(15)13(9)14/h5-6,16H,7-8,15H2,1-4H3;3-4,17-18H,5-8,15H2,1-2H3.

What are the key properties of 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine?

2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine has a molecular weight of 511.67 g/mol, XLogP of 3.51, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol;7-[2-(dimethylamino)ethoxy]-2,3-dimethyl-1H-indol-4-amine is sourced from PubChem (CID 67973446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).