1-({[4-(Trifluoromethyl)pyridin-2-yl]methoxy}acetyl)pyrrolidin-3-amine

HCID 69005653

Notes Reactions

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Basic information

Standard SMILES: NC1CCN(C(=O)COCc2cc(C(F)(F)F)ccn2)C1
InChIKey: KGUWUBHGOMCRCJ-UHFFFAOYSA-N
Molecular formula: C13H16F3N3O2
Average molar mass: 303.28 g/mol

Names & identifiers

Preferred name: 1-({[4-(Trifluoromethyl)pyridin-2-yl]methoxy}acetyl)pyrrolidin-3-amine
IUPAC: 1-(3-aminopyrrolidin-1-yl)-2-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]ethanone

Names & synonyms

1-({[4-(Trifluoromethyl)pyridin-2-yl]methoxy}acetyl)pyrrolidin-3-amineSCHEMBL43313271-({[4-(Trifluoromethyl)pyridin-2-yl]methoxy}acetyl)pyrrolidin-3amine

Database identifiers

PubChem CID: 69005653

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 365

Related reactions

4 records

New reaction record

HRID 309620As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 961904As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2103409As productuspto-grants-2009_08

HRID 2367054As productuspto-grants-2014_04

Compound notes

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