(2-Chlorobenzyl)[2-(4-methoxyphenyl)ethyl]amine
Basic information
- CAS
353772-55-1- Standard SMILES
COc1ccc(CCNCc2ccccc2Cl)cc1- InChIKey
ZGLXLHFLEFATAX-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1076919
Names & identifiers
- Preferred name
- (2-Chlorobenzyl)[2-(4-methoxyphenyl)ethyl]amine
- IUPAC
- N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine
- English name
- CHEMBRDG-BB 5944887
- Molecular formula
- C16H18ClNO
- Molecular weight
- 275.77
Names & synonyms
353772-55-1(2-CHLOROBENZYL)[2-(4-METHOXYPHENYL)ETHYL]AMINEN-(2-chlorobenzyl)-2-(4-methoxyphenyl)ethanamineSTK232549AK-968/15361993DTXSID80365826AKOS000235032UPCMLD0ENAT5364922:001DB-189623N-[(2-Chlorophenyl)methyl]-2-(4-methoxyphenyl)ethan-1-amineN-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethan-1-amine--oxalic acid (1/1)CHEMBRDG-BB 5944887
Show more names
Benzeneethanamine, N-[(2-chlorophenyl)methyl]-4-methoxy-(2-chlorobenzyl)[2-(4-methoxyphenyl)ethyl]amine(SALTDATA: HBr)
Database identifiers
- CAS
353772-55-1- PubChem CID
- 1990840
- DTXSID
DTXSID80365826
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 395.7 · 395.7±27.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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