[4-(2-Azepan-1-ylethoxy)benzyl][2-(6-methoxy-3,3-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]amine
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Basic information
- Standard SMILES
COc1ccc2c(c1)CC(C)(C)C(c1ccccc1NCc1ccc(OCCN3CCCCCC3)cc1)C2- InChIKey
VYVJGTAQZRHQKI-UHFFFAOYSA-N- Molecular formula
- C34H44N2O2
- Average molar mass
- 512.7 g/mol
Names & identifiers
- Preferred name
- [4-(2-Azepan-1-ylethoxy)benzyl][2-(6-methoxy-3,3-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]amine
- IUPAC
- N-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-2-yl)aniline
Names & synonyms
SCHEMBL228262VYVJGTAQZRHQKI-UHFFFAOYSA-N[4-(2-azepan-1-ylethoxy)benzyl][2-(6-methoxy-3,3-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]amine
Database identifiers
- PubChem CID
- 66627353
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 682
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Related reactions
3 records
Compound notes
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