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1-(4-Bromoanilino)-3-phenyl-2-propanol

HCID 22347200
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OC(CNc1ccc(Br)cc1)Cc1ccccc1
InChIKey
HLRWYPQRERJRPO-UHFFFAOYSA-N
Molecular formula
C15H16BrNO
Average molar mass
306.2 g/mol

Names & identifiers

Preferred name
1-(4-Bromoanilino)-3-phenyl-2-propanol
IUPAC
1-(4-bromoanilino)-3-phenylpropan-2-ol

Names & synonyms

SCHEMBL5785218HLRWYPQRERJRPO-UHFFFAOYSA-N1-(4-bromoanilino)-3-phenyl-2-propanol

Database identifiers

PubChem CID
22347200

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
223

Related reactions

5 records
New reaction record
HRID 136799 reaction equation
HRID 136799As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 432338 reaction equation
HRID 432338As productuspto-grants-2003_12
HRID 432339 reaction equation
HRID 432339As reactantuspto-grants-2003_12
HRID 897626 reaction equation
HRID 897626As productuspto-grants-2005_07
HRID 897627 reaction equation
HRID 897627As reactantuspto-grants-2005_07

Compound notes

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