Benzenemethanamine, N-ethyl-3,5-difluoro-
Basic information
- CAS
90390-29-7- Standard SMILES
CCNCc1cc(F)cc(F)c1- InChIKey
IDDLDNCSEZNREC-UHFFFAOYSA-N- Molecular formula
- C9H11F2N
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08595568
Names & identifiers
- Preferred name
- Benzenemethanamine, N-ethyl-3,5-difluoro-
- IUPAC
- N-[(3,5-difluorophenyl)methyl]ethanamine
Names & synonyms
90390-29-7Benzenemethanamine, N-ethyl-3,5-difluoro-N-[(3,5-difluorophenyl)methyl]ethanamineN-(3,5-Difluorobenzyl)ethanamineN-ETHYL-3,5-DIFLUORO-BENZENEMETHANAMINECHEMBL1183012DTXSID40238148MFCD11212428AKOS009343915[(3,5-DIFLUOROPHENYL)METHYL](ETHYL)AMINEA1-24083
Database identifiers
- CAS
90390-29-7- PubChem CID
- 457612
- DTXSID
DTXSID40238148- ChEMBL
CHEMBL1183012
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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