(2-Chloro-benzyl)-(4-methoxy-benzyl)-amine
Basic information
- CAS
436088-70-9- Standard SMILES
COc1ccc(CNCc2ccccc2Cl)cc1- InChIKey
SDOUSMKUUPQSOF-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO
- Average molar mass
- 261.74 g/mol
- Monoisotopic mass
- 261.0920418
Names & identifiers
- Preferred name
- (2-Chloro-benzyl)-(4-methoxy-benzyl)-amine
- IUPAC
- N-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
- English name
- (2-Chloro-benzyl)-(4-methoxy-benzyl)-amine
- Molecular formula
- C15H16ClNO
- Molecular weight
- 261.75
Names & synonyms
436088-70-9(2-Chloro-benzyl)-(4-methoxy-benzyl)-amineN-(2-Chlorobenzyl)-1-(4-methoxyphenyl)methanamineN-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine[(2-chlorophenyl)methyl][(4-methoxyphenyl)methyl]amineOprea1_048737Oprea1_495717CHEMBL1619731Benzenemethanamine,N-[(2-chlorophenyl)methyl]-4-methoxy-DTXSID80355303STK138099AKOS000233462
Show more names
Benzenemethanamine, N-[(2-chlorophenyl)methyl]-4-methoxy-
SB81794CS-0367687ST50020003SR-010003704611-(2-chlorophenyl)-N-(4-methoxybenzyl)methanamineSR-01000370461-11-(2-Chlorophenyl)-N-[(4-methoxyphenyl)methyl]methanamine
Database identifiers
- CAS
436088-70-9- PubChem CID
- 796207
- DTXSID
DTXSID80355303- ChEMBL
CHEMBL1619731- Nikkaji
- J3.584.232B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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