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N-(4-Bromobenzyl)-4-fluoro-N-isopropylbenzenamine

HCID 66614972
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)N(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIKey
JWMSYPHPOOJVGO-UHFFFAOYSA-N
Molecular formula
C16H17BrFN
Average molar mass
322.21 g/mol
Monoisotopic mass
321.05284

Names & identifiers

Preferred name
N-(4-Bromobenzyl)-4-fluoro-N-isopropylbenzenamine
IUPAC
N-[(4-bromophenyl)methyl]-4-fluoro-N-propan-2-ylaniline

Names & synonyms

SCHEMBL177212JWMSYPHPOOJVGO-UHFFFAOYSA-NN-(4-Bromobenzyl)-4-fluoro-N-isopropylbenzenamine

Database identifiers

PubChem CID
66614972

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
255

Related reactions

6 records
New reaction record
HRID 696589 reaction equation
HRID 696589As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 717664 reaction equation
HRID 717664As productuspto-grants-2015_11
HRID 717665 reaction equation
HRID 717665As reactantuspto-grants-2015_11
HRID 1123444 reaction equation
HRID 1123444As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2046077 reaction equation
HRID 2046077As productuspto-grants-2013_11
HRID 2046078 reaction equation
HRID 2046078As reactantuspto-grants-2013_11

Compound notes

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