4-chloro-N-(pyridin-4-ylmethyl)aniline

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Basic information

CAS: 29083-47-4
Standard SMILES: Clc1ccc(NCc2ccncc2)cc1
InChIKey: GTGQMNBRBJUEAP-UHFFFAOYSA-N
Molecular formula: C12H11ClN2
Average molar mass: 218.68 g/mol
Monoisotopic mass: 218.0610761

Names & identifiers

Preferred name: 4-chloro-N-(pyridin-4-ylmethyl)aniline
IUPAC: 4-chloro-N-(pyridin-4-ylmethyl)aniline

Names & synonyms

4-chloro-N-(pyridin-4-ylmethyl)aniline29083-47-44-chloro-N-[(pyridin-4-yl)methyl]aniline4-chloro-N-pyridin-4-ylmethyl-anilineOprea1_179012CHEMBL261041SCHEMBL5999682GTGQMNBRBJUEAP-UHFFFAOYSA-NDTXSID4012765074-(4-chlorophenylaminomethyl)pyridineAKOS000235331N-(4-Chlorophenyl)-4-pyridinemethanamine

Show more names

DB-218881EN300-167318Z57328868

Database identifiers

CAS: 29083-47-4
PubChem CID: 964352
DTXSID: DTXSID401276507
ChEMBL: CHEMBL261041

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 172

Related reactions

2 records

New reaction record

HRID 1546454As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2351982As reactantuspto-grants-1989_10

Compound notes

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