(4-Fluoro-benzyl)-[2-(1H-indol-3-yl)-ethyl]-amine
Basic information
- CAS
51841-40-8- Standard SMILES
Fc1ccc(CNCCc2c[nH]c3ccccc23)cc1- InChIKey
GNAOYSCNQZGVBP-UHFFFAOYSA-N- Molecular formula
- C17H17FN2
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.13757671
Names & identifiers
- Preferred name
- (4-Fluoro-benzyl)-[2-(1H-indol-3-yl)-ethyl]-amine
- IUPAC
- N-[(4-fluorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine
- English name
- (4-Fluoro-benzyl)-[2-(1 H-indol-3-yl)-ethyl]-amine
- Molecular formula
- C17H17FN2
- Molecular weight
- 268.33
Names & synonyms
(4-Fluoro-benzyl)-[2-(1H-indol-3-yl)-ethyl]-amine51841-40-8N-[(4-fluorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amineN-(4-fluorobenzyl)-2-(1H-indol-3-yl)ethanamine(4-fluoro-benzyl)-[2-(1 h-indol-3-yl)-ethyl]-amine[(4-FLuorophenyl)methyl](2-indol-3-ylethyl)aminen-(4-fluorobenzyl)-n-(2-(1h-indol-3-yl)ethyl)amineN-[(4-Fluorophenyl)methyl]-2-(1H-indol-3-yl)ethan-1-amineC17H17FN2CBMicro_024613MLS001207657
Show more names
AKOS B023261TIMTEC-BB SBB007262ART-CHEM-BB B0232613-(N-4'-Fluorbenzyl-β-aminoethyl)-indol1H-Indole-3-ethanamine, N-[(4-fluorophenyl)methyl]-
CHEMBL1461034DTXSID60332899HMS2814J21BBL018628CCG-11710MFCD01135916STK397412WAY-300440-A
Database identifiers
- CAS
51841-40-8- PubChem CID
- 472137
- DTXSID
DTXSID60332899- ChEMBL
CHEMBL1461034- Nikkaji
- J580.949E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
Solubility>40.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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