2-(Benzylamino)-1-(4-chlorophenyl)ethanol
Basic information
- CAS
6314-62-1- Standard SMILES
OC(CNCc1ccccc1)c1ccc(Cl)cc1- InChIKey
APTMYAYREOUIFX-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO
- Average molar mass
- 261.74 g/mol
- Monoisotopic mass
- 261.0920418
Names & identifiers
- Preferred name
- 2-(Benzylamino)-1-(4-chlorophenyl)ethanol
- IUPAC
- 2-(benzylamino)-1-(4-chlorophenyl)ethanol
Names & synonyms
6314-62-1MLS0026081812-(benzylamino)-1-(4-chlorophenyl)ethanolNSC39791CHEMBL1902115SCHEMBL14646432DTXSID30284912HMS3078L04NSC-39791AKOS009147649SMR0015269322-(Benzylamino)-1-(4-chlorophenyl)ethan-1-ol
Database identifiers
- CAS
6314-62-1- PubChem CID
- 236808
- DTXSID
DTXSID30284912- ChEMBL
CHEMBL1902115
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
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Related reactions
1 records
Compound notes
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