N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
Basic information
- CAS
13364-32-4- Standard SMILES
CC(Cc1ccccc1)NCc1ccccc1Cl- InChIKey
LRXXRIXDSAEIOR-UHFFFAOYSA-N- Molecular formula
- C16H18ClN
- Average molar mass
- 259.77 g/mol
- Monoisotopic mass
- 259.1127773
Names & identifiers
- Preferred name
- N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
- IUPAC
- N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
Names & synonyms
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amineN-((2-chlorophenyl)methyl)-1-phenylpropan-2-amineRefChem:822881616-349-2DinintelAsenlixFinedal76553-22-5(2-chlorobenzyl)(1-methyl-2-phenylethyl)amine hydrochlorideClobenzorex (INN)NCGC00160424-01[(2-chlorophenyl)methyl](1-methyl-2-phenylethyl)amine
Show more names
Rexigen (Salt/Mix)(+)-N-(o-Chlorobenzyl)-.alpha.-methylphenethylamineSCHEMBL26720[(2-chlorophenyl)methyl](1-phenylpropan-2-yl)amineCHEMBL1213251SCHEMBL31080692ALBB-023810NAA36432
Database identifiers
- CAS
13364-32-4、76553-22-5- PubChem CID
- 71675
- DTXSID
DTXSID7048409- ChEMBL
CHEMBL1213251- EC Number
- 616-349-2
- Nikkaji
- J8.101I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Boiling Point133 °C
Physical DescriptionSolid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine (EC: 616-349-2)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationPharmaceuticals
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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