CAS 2711-58-2|2-(5-fluoro-1H-indol-3-yl)ethan-1-amine hydrochloride|2-(5-Fluoro-1H-indol-3-yl)ethanamine hydrochloride|2-(5-fluoro-1H-indol-3-yl)ethanamine hydrochloride|5-Fluorotryptamine hydrochlo...

General Information

Structure

Molecular Formula

C₁₀H₁₂ClFN₂

Molecular Mass

214.6670832

Exact Mass

214.06730429

Charge

InChI

InChI=1S/C10H11FN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H

InChIKey

YZAWADGJXKCLTI-UHFFFAOYSA-N

Canonic Smiles

NCCc1c[nH]c2c1cc(F)cc2.Cl

Isomeric Smiles

c1(ccc2c(c1)c(c[nH]2)CCN)F.Cl

Calculated Properties

JChem

Acid pKa

17.214602

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3780738

LogD (pH = 7.4)

-0.63605917

Log P

1.6291394

Molar Refractivity

50.5893

Polarizability

20.316616

Polar Surface Area

41.81

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-(5-fluoro-1H-indol-3-yl)ethan-1-amine hydrochloride

Synonyms

2-(5-Fluoro-1H-indol-3-yl)ethanamine hydrochloride5-Fluorotryptamine hydrochloride3-(2-Aminoethyl)-5-fluoro-1H-indole hydrochloride2-(5-Fluoro-1H-indol-3-yl)ethylamine hydrochloride5-FluorotryptaMinehydrochloride5-Fluorotryptamine hydrochloride5-FLUOROTRYPTAMINE HYDROCHLORIDE

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

EC Number