Basic information
- CAS
917776-95-5- Standard SMILES
CC1(c2cccc(Br)c2)N=C(N)c2ccccc21- InChIKey
NGIZEDKRELFESB-UHFFFAOYSA-N- Molecular formula
- C15H13BrN2
- Average molar mass
- 301.18 g/mol
- Monoisotopic mass
- 300.02621
Names & identifiers
- Preferred name
- 1-(3-bromophenyl)-1-methyl-1H-isoindol-3-amine
- IUPAC
- 3-(3-bromophenyl)-3-methylisoindol-1-amine
Names & synonyms
1-(3-bromophenyl)-1-methyl-1H-isoindol-3-amine917776-95-5SCHEMBL2087166SCHEMBL8238535DTXSID10732466NGIZEDKRELFESB-UHFFFAOYSA-N
Database identifiers
- CAS
917776-95-5- PubChem CID
- 59596232
- DTXSID
DTXSID10732466
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
1 records
Compound notes
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