Basic information
- CAS
39718-80-4- Standard SMILES
O=C(O)Cc1ccc(NCc2ccccc2)cc1- InChIKey
SXBXECJEQCYKSP-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- Acetic acid, 2-(p-(benzylamino)phenyl)-
- IUPAC
- 2-[4-(benzylamino)phenyl]acetic acid
Names & synonyms
(4-Benzylaminophenyl)acetic acid39718-80-4ACETIC ACID, 2-(p-(BENZYLAMINO)PHENYL)-BRN 2376457Acide benzylamino-4 phenylacetique [French]Acide benzylamino-4 phenylacetiqueDTXSID001927974-14-00-01314 (Beilstein Handbook Reference)RefChem:316503DTXCID401152882-[4-(benzylamino)phenyl]acetic acid2-(4-(benzylamino)phenyl)acetic acid
Show more names
Oprea1_309277CHEMBL237618SCHEMBL5447986AKOS022228672[4-(BENZYLAMINO)PHENYL]ACETIC ACIDEN300-651267SR-01000579765SR-01000579765-1
Database identifiers
- CAS
39718-80-4- PubChem CID
- 38320
- DTXSID
DTXSID00192797- ChEMBL
CHEMBL237618- Nikkaji
- J85.191D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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