Basic information
- Standard SMILES
Fc1cc(OCc2ccccc2)ccc1NCn1nnc2ccccc21- InChIKey
DXMQYLQLWBTIEF-UHFFFAOYSA-N- Molecular formula
- C20H17FN4O
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.13863934
Names & identifiers
- Preferred name
- N-{1-(1H-Benzotriazolyl)methyl}-4-benzyloxy-2-fluoroaniline
- IUPAC
- N-(benzotriazol-1-ylmethyl)-2-fluoro-4-phenylmethoxyaniline
Names & synonyms
SCHEMBL1890494DXMQYLQLWBTIEF-UHFFFAOYSA-NN-{1-(1H-Benzotriazolyl)methyl}-4-benzyloxy-2-fluoroaniline
Database identifiers
- PubChem CID
- 22936313
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Related reactions
10 records
Compound notes
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