Basic information
- CAS
355382-33-1- Standard SMILES
COc1ccc(CNCc2ccccc2OC)cc1Br- InChIKey
PJQLBHPVZLELQF-UHFFFAOYSA-N- Molecular formula
- C16H18BrNO2
- Average molar mass
- 336.22 g/mol
- Monoisotopic mass
- 335.05209
Names & identifiers
- Preferred name
- 1-(3-bromo-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
- IUPAC
- 1-(3-bromo-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
Names & synonyms
355382-33-11-(3-bromo-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine3-Bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]benzenemethanamineCambridge id 5547696Oprea1_019871Oprea1_498672DTXSID901175493AKOS001646634CCG-108911EU-0041347(3-bromo-4-methoxybenzyl)(2-methoxybenzyl)amineAB00088476-01
Database identifiers
- CAS
355382-33-1- PubChem CID
- 738596
- DTXSID
DTXSID901175493
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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