Basic information
- Standard SMILES
COc1ccc(CNCCC2(c3ccc(F)cc3)CCOC(C)(C)C2)cc1OC- InChIKey
FHBLOJNNNGOMKZ-UHFFFAOYSA-N- Molecular formula
- C24H32FNO3
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- [(3,4-Dimethoxyphenyl)methyl]({2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl})amine
- IUPAC
- N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
Names & synonyms
[(3,4-Dimethoxyphenyl)methyl]({2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl})amineChemDiv1_022949N-(3,4-dimethoxybenzyl)-2-(4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethanamineN-(3,4-dimethoxybenzyl)-2-[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethanamineSCHEMBL12691865HMS652D03FHBLOJNNNGOMKZ-UHFFFAOYSA-NSTL563183AKOS001630359AKOS021994262EU-0007191ST51024343
Show more names
SR-01000453807SR-01000453807-1[(3,4-Dimethoxyphenyl)methyl]({2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethyl}) amine[(3,4-dimethoxyphenyl)methyl]{2-[4-(4-fluorophenyl)-2,2-dimethyl(2H-3,4,5,6-te trahydropyran-4-yl)]ethyl}amine
Database identifiers
- PubChem CID
- 3735781
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 495
Related reactions
1 records
Compound notes
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