Molecule card · MolClass #2094
(3-chloro-4-fluorophenyl)(4-methoxybenzyl)amine
(3-chloro-4-fluorophenyl)(4-methoxybenzyl)amine: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- (3-chloro-4-fluorophenyl)(4-methoxybenzyl)amineCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2094
- InChIKey
- SGDAKGSEFFKMHD-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)CNc2ccc(F)c(c2)Cl
- Standard InChI
- InChI=1S/C14H13ClFNO/c1-18-12-5-2-10(3-6-12)9-17-11-4-7-14(16)13(15)8-11/h2-8,17H,9H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)NCc2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.711 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.076
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Compound accumulation in C. elegans
Dataset #4 · 8.08468596145753