5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol

C13H20N2O — CID 80562561

IUPAC5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol
SMILESCCNC(C)C1(O)CCc2cc(N)ccc21
InChIInChI=1S/C13H20N2O/c1-3-15-9(2)13(16)7-6-10-8-11(14)4-5-12(10)13/h4-5,8-9,15-16H,3,6-7,14H2,1-2H3
InChIKeyDPFANISQKNSVDG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.40
Rot. Bonds3

About 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol

5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol (PubChem CID 80562561) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol
PubChem CID80562561
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol
SMILESCCNC(C)C1(O)CCc2cc(N)ccc21
InChIInChI=1S/C13H20N2O/c1-3-15-9(2)13(16)7-6-10-8-11(14)4-5-12(10)13/h4-5,8-9,15-16H,3,6-7,14H2,1-2H3
InChIKeyDPFANISQKNSVDG-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-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 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol (CID 80562561) is 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol is CCNC(C)C1(O)CCc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol?
The InChIKey is DPFANISQKNSVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-15-9(2)13(16)7-6-10-8-11(14)4-5-12(10)13/h4-5,8-9,15-16H,3,6-7,14H2,1-2H3.
What are the key properties of 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol?
5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).