2-[Butyl-[(4-methoxyphenyl)methyl]amino]-1-(4-chlorophenyl)ethanol
Basic information
- CAS
6340-12-1- Standard SMILES
CCCCN(Cc1ccc(OC)cc1)CC(O)c1ccc(Cl)cc1- InChIKey
XCJDGUPOJRRALG-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO2
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 347.1652068
Names & identifiers
- Preferred name
- 2-[Butyl-[(4-methoxyphenyl)methyl]amino]-1-(4-chlorophenyl)ethanol
- IUPAC
- 2-[butyl-[(4-methoxyphenyl)methyl]amino]-1-(4-chlorophenyl)ethanol
Names & synonyms
NSC40446NSC-40446
Database identifiers
- CAS
6340-12-1- PubChem CID
- 237158
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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