2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride

C10H11Cl2FN2 — CID 21071576

IUPAC2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C10H10ClFN2.ClH/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12;/h3-5,14H,1-2,13H2;1H
InChIKeyAOCZLEVTJHBTNC-UHFFFAOYSA-N
MW249.12 g/mol
LogP2.88
Rot. Bonds2

About 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride

2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 21071576) has the molecular formula C10H11Cl2FN2 and a molecular weight of 249.12 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID21071576
Molecular FormulaC10H11Cl2FN2
Molecular Weight249.12 g/mol
Exact Mass248.03
IUPAC Name2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C10H10ClFN2.ClH/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12;/h3-5,14H,1-2,13H2;1H
InChIKeyAOCZLEVTJHBTNC-UHFFFAOYSA-N
XLogP2.88
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride (CID 21071576) is 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride is Cl.NCCc1c[nH]c2cc(F)c(Cl)cc12.
What is the InChIKey of 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is AOCZLEVTJHBTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2.ClH/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12;/h3-5,14H,1-2,13H2;1H.
What are the key properties of 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride?
2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 249.12 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 21071576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).