HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2-Bromo-5-methoxy-3-methyl-phenylamine

HCID 21886489
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C)c(Br)c(N)c1
InChIKey
STYOEGNLKFBNDA-UHFFFAOYSA-N
Molecular formula
C8H10BrNO
Average molar mass
216.07 g/mol

Names & identifiers

Preferred name
2-Bromo-5-methoxy-3-methyl-phenylamine
IUPAC
2-bromo-5-methoxy-3-methylaniline

Names & synonyms

631910-82-2SCHEMBL5839967STYOEGNLKFBNDA-UHFFFAOYSA-N2-Bromo-5-methoxy-3-methylbenzenamine2-bromo-5-methoxy-3-methyl-phenylamineDB-203149

Database identifiers

PubChem CID
21886489

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
131

Related reactions

6 records
New reaction record
HRID 199072 reaction equation
HRID 199072As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 679551 reaction equation
HRID 679551As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 723167 reaction equation
HRID 723167As productuspto-grants-2006_11
HRID 723168 reaction equation
HRID 723168As reactantuspto-grants-2006_11
HRID 2216122 reaction equation
HRID 2216122As productuspto-grants-2006_09
HRID 2216123 reaction equation
HRID 2216123As reactantuspto-grants-2006_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes