N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine

C12H16FN3 — CID 68606008

IUPACN'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H16FN3/c13-10-1-2-12-11(7-10)9(8-16-12)3-5-15-6-4-14/h1,7-8,15H,2-6,14H2
InChIKeyKWMXKAPTKXGSHG-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.45
Rot. Bonds5

About N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine

N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 68606008) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine
PubChem CID68606008
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC NameN'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H16FN3/c13-10-1-2-12-11(7-10)9(8-16-12)3-5-15-6-4-14/h1,7-8,15H,2-6,14H2
InChIKeyKWMXKAPTKXGSHG-UHFFFAOYSA-N
XLogP1.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine 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 N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine (CID 68606008) is N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine is NCCNCCC1=CN=C2CC=C(F)C=C12.
What is the InChIKey of N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is KWMXKAPTKXGSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c13-10-1-2-12-11(7-10)9(8-16-12)3-5-15-6-4-14/h1,7-8,15H,2-6,14H2.
What are the key properties of N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine?
N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 221.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 68606008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).