1-Butanol, 2-(((4-chlorophenyl)methyl)amino)-, (2R)-
Basic information
- CAS
70218-66-5- Standard SMILES
CCC(CO)NCc1ccc(Cl)cc1- InChIKey
MSPQTZWVTYYOJB-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO
- Average molar mass
- 213.7 g/mol
- Monoisotopic mass
- 213.0920418
Names & identifiers
- Preferred name
- 1-Butanol, 2-(((4-chlorophenyl)methyl)amino)-, (2R)-
- IUPAC
- 2-[(4-chlorophenyl)methylamino]butan-1-ol
Names & synonyms
1-Butanol, 2-(((4-chlorophenyl)methyl)amino)-, (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol2-{[(4-chlorophenyl)methyl]amino}butan-1-olSCHEMBL107063321-Butanol, 2-(((4-chlorophenyl)methyl)amino)-, (R)-(-)-STK5108242-[(4-chlorobenzyl)amino]butan-1-olAKOS001477918AKOS017269334ST45104232
Database identifiers
- CAS
70218-66-5- PubChem CID
- 112202
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 146
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Compound notes
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