(3,4-Dimethoxybenzyl)(2-methoxybenzyl)amine
Basic information
- CAS
418792-50-4- Standard SMILES
COc1ccccc1CNCc1ccc(OC)c(OC)c1- InChIKey
FECSVWAYVHURCC-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- (3,4-Dimethoxybenzyl)(2-methoxybenzyl)amine
- IUPAC
- 1-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
- English name
- CHEMBRDG-BB 5576298
- Molecular formula
- C17H21NO3
- Molecular weight
- 287.35
Names & synonyms
418792-50-4(3,4-DIMETHOXYBENZYL)(2-METHOXYBENZYL)AMINE1-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamineN-(3,4-Dimethoxybenzyl)-1-(2-methoxyphenyl)methanamine[(3,4-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amineOprea1_144485DTXSID80353349STK127804AKOS000230350DB-179183ST45109211AK-968/15362350
Show more names
CHEMBRDG-BB 5576298(3,4-dimethoxybenzyl)(2-methoxybenzyl)amine(SALTDATA: HBr)Benzenemethanamine, 3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]-
N-(3,4-dimethoxybenzyl)(2-methoxyphenyl)methanamine1-(3,4-dimethoxyphenyl)-N-(2-methoxybenzyl)methanamine1-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Database identifiers
- CAS
418792-50-4- PubChem CID
- 738541
- DTXSID
DTXSID80353349
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 399.5 · 399.5±37.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 8.22 · 8.22±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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