2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine

HCID 2851278

Notes Reactions

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Basic information

CAS: 113248-70-7
Standard SMILES: Clc1ccc(CCNCc2ccncc2)cc1
InChIKey: LUNHCCVXOZOINB-UHFFFAOYSA-N
Molecular formula: C14H15ClN2
Average molar mass: 246.73 g/mol
Monoisotopic mass: 246.0923762

Names & identifiers

Preferred name: 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
IUPAC: 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
English name: CHEMBRDG-BB 5542562
Molecular formula: C14H15ClN2
Molecular weight: 246.74

Names & synonyms

2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine113248-70-72-(4-Chlorophenyl)-N-(pyridin-4-ylmethyl)ethan-1-amineHMS1372E19ChemDiv2_001207Cambridge id 5542562SCHEMBL10557535DTXSID60386034LUNHCCVXOZOINB-UHFFFAOYSA-NCCG-21694STK386684AKOS000546389

Show more names

CHEMBRDG-BB 5542562UKRORGSYN-BB BBV-1639654-Pyridinemethanamine, N-[2-(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine(SALTDATA: HBr)

CS-0339321ST509164334-[2-(4-chlorophenyl)ethylaminomethyl]pyridine[2-(4-chlorophenyl)ethyl](4-pyridylmethyl)amineAB00088209-012-(4-chlorophenyl)-N-(4-pyridylmethyl)ethanamine2-(4-Chlorophenyl)-N-[(pyridin-4-yl)methyl]ethan-1-amine

Database identifiers

CAS: 113248-70-7
PubChem CID: 2851278
DTXSID: DTXSID60386034

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 196

Chemistry & industry

Suppliers1 total

北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

2 records

New reaction record

HRID 196849As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2351978As reactantuspto-grants-1989_10

Compound notes

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