Basic information
- CAS
774194-93-3- Standard SMILES
c1ccc(COc2ccccc2CNC2CCCC2)cc1- InChIKey
LSMCLGNVWOCDKA-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.17796436
Names & identifiers
- Preferred name
- n-(2-(Benzyloxy)benzyl)cyclopentanamine
- IUPAC
- N-[(2-phenylmethoxyphenyl)methyl]cyclopentanamine
Names & synonyms
774194-93-3n-(2-(Benzyloxy)benzyl)cyclopentanamineN-[(2-phenylmethoxyphenyl)methyl]cyclopentanamineN-[2-(benzyloxy)benzyl]-N-cyclopentylamineN-[2-(benzyloxy)benzyl]cyclopentanamineN-{[2-(benzyloxy)phenyl]methyl}cyclopentanamineAN-465/41989751MLS000770129CHEMBL1482414REGID_for_CID_834085DTXSID501320363STK328015
Show more names
AKOS001092226SMR000343682CS-0270089Z57056341
Database identifiers
- CAS
774194-93-3- PubChem CID
- 834085
- DTXSID
DTXSID501320363- ChEMBL
CHEMBL1482414
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
Solubility38.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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