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4-Chloro-3-(pyridin-4-ylmethoxy)-phenylamine

HCID 64008589
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(Cl)c(OCc2ccncc2)c1
InChIKey
ABJNHYVQRVXAEF-UHFFFAOYSA-N
Molecular formula
C12H11ClN2O
Average molar mass
234.68 g/mol

Names & identifiers

Preferred name
4-Chloro-3-(pyridin-4-ylmethoxy)-phenylamine
IUPAC
4-chloro-3-(pyridin-4-ylmethoxy)aniline

Names & synonyms

SCHEMBL2260481ABJNHYVQRVXAEF-UHFFFAOYSA-NAKOS0133249694-chloro-3-(pyridin-4-ylmethoxy)-phenylamine

Database identifiers

PubChem CID
64008589

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
48.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
209

Related reactions

3 records
New reaction record
HRID 1184532 reaction equation
HRID 1184532As reactantuspto-grants-2014_03
HRID 1260378 reaction equation
HRID 1260378As reactantuspto-grants-2013_06
HRID 2315239 reaction equation
HRID 2315239As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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