(2,2-Dimethyl-benzo[1,3]dioxol-5-ylmethyl)-[2-(3-trifluoromethyl-phenyl)-ethyl]-amine

HCID 69346752
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Basic information

Standard SMILES
CC1(C)Oc2ccc(CNCCc3cccc(C(F)(F)F)c3)cc2O1
InChIKey
DKEHYWNOOIUXTO-UHFFFAOYSA-N
Molecular formula
C19H20F3NO2
Average molar mass
351.4 g/mol
Monoisotopic mass
351.14461337

Names & identifiers

Preferred name
(2,2-Dimethyl-benzo[1,3]dioxol-5-ylmethyl)-[2-(3-trifluoromethyl-phenyl)-ethyl]-amine
IUPAC
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine

Names & synonyms

(2,2-dimethyl-benzo[1,3]dioxol-5-ylmethyl)-[2-(3-trifluoromethyl-phenyl)-ethyl]-amineSCHEMBL5187742

Database identifiers

PubChem CID
69346752

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
30.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

Related reactions

1 records
New reaction record

Compound notes

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(2,2-Dimethyl-benzo[1,3]dioxol-5-ylmethyl)-[2-(3-trifluoromethyl-phenyl)-ethyl]-amine (HCID 69346752)｜Huagongshe