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

N-(4-Chlorobenzyl)pyridin-3-amine

HCID 10036347
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ccc(CNc2cccnc2)cc1
InChIKey
CEVNNSXVYGVQBQ-UHFFFAOYSA-N
Molecular formula
C12H11ClN2
Average molar mass
218.68 g/mol

Names & identifiers

Preferred name
N-(4-Chlorobenzyl)pyridin-3-amine
IUPAC
N-[(4-chlorophenyl)methyl]pyridin-3-amine

Names & synonyms

N-[(4-chlorophenyl)methyl]pyridin-3-amineN-(4-Chlorobenzyl)pyridin-3-amineSCHEMBL10984578SCHEMBL30520318CEVNNSXVYGVQBQ-UHFFFAOYSA-NAKOS000227284CS-0299918N-(3-pyridyl)-[(4-chlorophenyl)methyl]amineN-[(4-chlorophenyl)methyl]-(3-pyridyl)amineEN300-164607

Database identifiers

PubChem CID
10036347
Nikkaji
J791.634E

Properties

Computed structural properties

XLogP
3
Topological polar surface area
24.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
178

Related reactions

4 records
New reaction record
HRID 123373 reaction equation
HRID 123373As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 615873 reaction equation
HRID 615873As reactantuspto-grants-1985_02
HRID 1583653 reaction equation
HRID 1583653As reactantuspto-grants-1985_11
HRID 2138484 reaction equation
HRID 2138484As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes