2-[5-(2-Propan-2-ylphenoxy)pentylamino]ethanol
Basic information
- CAS
5546-09-8- Standard SMILES
CC(C)c1ccccc1OCCCCCNCCO- InChIKey
QBSZKPXSJZSUFQ-UHFFFAOYSA-N- Molecular formula
- C16H27NO2
- Average molar mass
- 265.39 g/mol
- Monoisotopic mass
- 265.2041791
Names & identifiers
- Preferred name
- 2-[5-(2-Propan-2-ylphenoxy)pentylamino]ethanol
- IUPAC
- 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol
Names & synonyms
5546-09-8MLS0001072562-[5-(2-propan-2-ylphenoxy)pentylamino]ethanolCHEMBL1534049DTXSID70367233HMS2500H05SMR000111628SR-01000212440SR-01000212440-12-{[5-(2-ISOPROPYLPHENOXY)PENTYL]AMINO}ETHANOL2-({5-[2-(Propan-2-yl)phenoxy]pentyl}amino)ethan-1-ol
Database identifiers
- CAS
5546-09-8- PubChem CID
- 2249073
- DTXSID
DTXSID70367233- ChEMBL
CHEMBL1534049
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 209
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Related reactions
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Compound notes
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