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3-(1-aminoethyl)-N-(pyridin-3-ylmethyl)aniline

HCID 22473293
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(N)c1cccc(NCc2cccnc2)c1
InChIKey
OZTDEIPZXIRINJ-UHFFFAOYSA-N
Molecular formula
C14H17N3
Average molar mass
227.3 g/mol

Names & identifiers

Preferred name
3-(1-aminoethyl)-N-(pyridin-3-ylmethyl)aniline
IUPAC
3-(1-aminoethyl)-N-(pyridin-3-ylmethyl)aniline

Names & synonyms

SCHEMBL6486910

Database identifiers

PubChem CID
22473293

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
50.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
220

Related reactions

2 records
New reaction record
HRID 95328 reaction equation
HRID 95328As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 299432 reaction equation
HRID 299432As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes