Basic information
- CAS
353779-16-5- Standard SMILES
COc1cccc(CNCc2ccc(Br)cc2)c1OC- InChIKey
ZSUAEARDUIGVOI-UHFFFAOYSA-N- Molecular formula
- C16H18BrNO2
- Average molar mass
- 336.22 g/mol
- Monoisotopic mass
- 335.05209
Names & identifiers
- Preferred name
- (4-Bromobenzyl)(2,3-dimethoxybenzyl)amine
- IUPAC
- 1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
- English name
- CHEMBRDG-BB 5547271
- Molecular formula
- C16H18BrNO2
- Molecular weight
- 336.22
Names & synonyms
353779-16-5(4-BROMOBENZYL)(2,3-DIMETHOXYBENZYL)AMINE1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamineOprea1_217691Oprea1_8464991-(4-bromophenyl)-N-(2,3-dimethoxybenzyl)methanamineDTXSID10355139STK145641AKOS003653177DB-200282ST45110364AB00088450-01
Show more names
CHEMBRDG-BB 5547271(4-bromobenzyl)(2,3-dimethoxybenzyl)amine(SALTDATA: HBr)Benzenemethanamine, N-[(4-bromophenyl)methyl]-2,3-dimethoxy-
AG-690/11822317SR-01000212522SR-01000212522-1N-(4-Bromobenzyl)-1-(2,3-dimethoxyphenyl)methanamine[(2,3-dimethoxyphenyl)methyl][(4-bromophenyl)methyl]amineN-(4-BROMOBENZYL)(2,3-DIMETHOXYPHENYL)METHANAMINE1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Database identifiers
- CAS
353779-16-5- PubChem CID
- 792191
- DTXSID
DTXSID10355139
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
- 269
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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