({3-[(3-Butyl-5-chlorophenyl)oxy]-4-chloro-2-fluorophenyl}methyl)amine

HCID 68485437
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCc1cc(Cl)cc(Oc2c(Cl)ccc(CN)c2F)c1
InChIKey
CELPUKIPDPQXPX-UHFFFAOYSA-N
Molecular formula
C17H18Cl2FNO
Average molar mass
342.2 g/mol
Monoisotopic mass
341.0749477

Names & identifiers

Preferred name
({3-[(3-Butyl-5-chlorophenyl)oxy]-4-chloro-2-fluorophenyl}methyl)amine
IUPAC
[3-(3-butyl-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methanamine

Names & synonyms

SCHEMBL3027752CELPUKIPDPQXPX-UHFFFAOYSA-N({3-[(3-butyl-5-chlorophenyl)oxy]-4-chloro-2-fluorophenyl}methyl)amine

Database identifiers

PubChem CID
68485437

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
22

Related reactions

4 records
New reaction record

Compound notes

Loading…