HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4-fluoro-1-methyl-3-(methylaminomethyl)-1H-indole

HCID 22139151
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNCc1cn(C)c2cccc(F)c12
InChIKey
LNINZPKKXDMZJP-UHFFFAOYSA-N
Molecular formula
C11H13FN2
Average molar mass
192.23 g/mol

Names & identifiers

Preferred name
4-fluoro-1-methyl-3-(methylaminomethyl)-1H-indole
IUPAC
1-(4-fluoro-1-methylindol-3-yl)-N-methylmethanamine

Names & synonyms

SCHEMBL1093139LNINZPKKXDMZJP-UHFFFAOYSA-N4-fluoro-1-methyl-3-(methylaminomethyl)-1H-indole

Database identifiers

PubChem CID
22139151

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
17 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
198

Related reactions

12 records
New reaction record
HRID 18267 reaction equation
HRID 18267As productuspto-grants-2010_06
HRID 18343 reaction equation
HRID 18343As reactantuspto-grants-2010_06
HRID 159373 reaction equation
HRID 159373As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1297395 reaction equation
HRID 1297395As productuspto-grants-2007_07
HRID 1297469 reaction equation
HRID 1297469As reactantuspto-grants-2007_07
HRID 1361986 reaction equation
HRID 1361986As productuspto-grants-2011_02
HRID 1362152 reaction equation
HRID 1362152As reactantuspto-grants-2011_02
HRID 1690339 reaction equation
HRID 1690339As productuspto-grants-2012_04
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes