1-[2-(Bicyclo[2.2.1]heptan-2-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol

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Basic information

Standard SMILES: CC(C)NCC(O)COc1ccccc1C1C[C@]2(C)CC[C@@]1(C)C2
InChIKey: FIXZHAKMZFUGDX-NGKMOHNRSA-N
Molecular formula: C21H33NO2
Average molar mass: 331.5 g/mol
Monoisotopic mass: 331.2511293

Names & identifiers

Preferred name: 1-[2-(Bicyclo[2.2.1]heptan-2-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
IUPAC: 1-[2-[(1S,4S)-1,4-dimethyl-2-bicyclo[2.2.1]heptanyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

Names & synonyms

DTXSID508672261-[2-(Bicyclo[2.2.1]heptan-2-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol1-{2-[(1S,4S)-1,4-Dimethylbicyclo[2.2.1]heptan-2-yl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol

Database identifiers

PubChem CID: 165367808
DTXSID: DTXSID50867226

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 426

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Compound notes

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