N-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine
Basic information
- CAS
723753-74-0- Standard SMILES
Fc1ccccc1CNc1cc(Cl)cc(Cl)c1- InChIKey
HCYZIXNJVDKZFQ-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2FN
- Average molar mass
- 270.13 g/mol
- Monoisotopic mass
- 269.0174329
Names & identifiers
- Preferred name
- N-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine
- IUPAC
- 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline
- English name
- 3,5-Dichloro-N-(2-fluorobenzyl)aniline
- Molecular formula
- C13H10Cl2FN
- Molecular weight
- 270.13
Names & synonyms
723753-74-03,5-dichloro-N-(2-fluorobenzyl)anilineN-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine3,5-dichloro-N-[(2-fluorophenyl)methyl]anilineN-(3,5-Dichlorophenyl)-2-fluorobenzenemethanamineMLS000325226SMR000160752cid_834546CHEMBL1503381BDBM57298DTXSID201235454HMS2481D14
Show more names
ZERENEX E/6027580Benzenemethanamine, N-(3,5-dichlorophenyl)-2-fluoro-
STK511260AKOS001477358(3,5-dichlorophenyl)-(2-fluorobenzyl)amineMLS000325226-02AN-465/428861973,5-bis(chloranyl)-N-[(2-fluorophenyl)methyl]aniline
Database identifiers
- CAS
723753-74-0- PubChem CID
- 834546
- DTXSID
DTXSID201235454- ChEMBL
CHEMBL1503381
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 381.7 · 381.7±32.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 1.36 · 1.36±0.50(Predicted)
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Compound notes
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