5-(2-Amino-ethyl)-2-(4-chloro-3-trifluoromethyl-phenoxy)-benzonitrile

HCID 67775728
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Basic information

Standard SMILES
N#Cc1cc(CCN)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1
InChIKey
SDBDSBZZDGNHLU-UHFFFAOYSA-N
Molecular formula
C16H12ClF3N2O
Average molar mass
340.73 g/mol

Names & identifiers

Preferred name
5-(2-Amino-ethyl)-2-(4-chloro-3-trifluoromethyl-phenoxy)-benzonitrile
IUPAC
5-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)phenoxy]benzonitrile

Names & synonyms

5-(2-Amino-ethyl)-2-(4-chloro-3-trifluoromethyl-phenoxy)-benzonitrileSCHEMBL9107703

Database identifiers

PubChem CID
67775728

Properties

Computed structural properties

XLogP
4
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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