Basic information
- CAS
58851-65-3- Standard SMILES
COc1ccc(OC)c2c1C[C@@H](O)[C@H](NC(C)C)C2- InChIKey
FSUXVGRIGKTUEN-CHWSQXEVSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.1677936
Overview
structure given in first source; RN given refers to (trans)-isomer; RN for cpd without isomeric designation not available 3/89
Names & identifiers
- Preferred name
- 2-Isopropylamino-3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
- IUPAC
- (2R,3R)-5,8-dimethoxy-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
Names & synonyms
Ihd-thn2-Isopropylamino-3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthaleneRefChem:8774058851-65-3(2R,3R)-5,8-dimethoxy-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-olSCHEMBL11346747DTXSID80974356FSUXVGRIGKTUEN-CHWSQXEVSA-N5,8-Dimethoxy-3-[(propan-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol(2R,3R)-5,8-Dimethoxy-3-[(propan-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol2-Naphthalenol, 1,2,3,4-tetrahydro-5,8-dimethoxy-3-((1-methylethyl)amino)-, trans-trans-1,2,3,4-Tetrahydro-3-[(1-methylethyl)amino]5,8-dimethoxy-2-naphthalenol
Database identifiers
- CAS
58851-65-3- PubChem CID
- 173648
- DTXSID
DTXSID80974356
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Related reactions
1 records
Compound notes
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