(2-Chlorobenzyl)(3,4-dimethoxybenzyl)amine
Basic information
- CAS
423733-58-8- Standard SMILES
COc1ccc(CNCc2ccccc2Cl)cc1OC- InChIKey
AZGDLJBCGNHODV-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- (2-Chlorobenzyl)(3,4-dimethoxybenzyl)amine
- IUPAC
- N-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
- English name
- CHEMBRDG-BB 5943316
- Molecular formula
- C16H18ClNO2
- Molecular weight
- 291.77
Names & synonyms
423733-58-8(2-CHLOROBENZYL)(3,4-DIMETHOXYBENZYL)AMINEN-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamineN-(2-Chlorobenzyl)-1-(3,4-dimethoxyphenyl)methanamineCBMicro_038454Oprea1_017689(2-chlorophenyl)-N-(3,4-dimethoxybenzyl)methanamineDTXSID40357969AKOS000233538BIM-0038504.P001DB-189622AK-968/15362307
Show more names
CHEMBRDG-BB 5943316(2-chlorobenzyl)(3,4-dimethoxybenzyl)amine(SALTDATA: HBr)Benzenemethanamine, N-[(2-chlorophenyl)methyl]-3,4-dimethoxy-
SR-01000224023SR-01000224023-11-(2-Chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine
Database identifiers
- CAS
423733-58-8- PubChem CID
- 873395
- DTXSID
DTXSID40357969
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
Physicochemical properties
- Boiling point
- 398.2 · 398.2±37.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 7.56 · 7.56±0.20(Predicted)
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Related reactions
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Compound notes
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