3-(Azepan-1-yl)-2-methyl-1,1-diphenylpropan-1-ol
Basic information
- CAS
4082-37-5- Standard SMILES
CC(CN1CCCCCC1)C(O)(c1ccccc1)c1ccccc1- InChIKey
RHTHJITVIHGSEE-UHFFFAOYSA-N- Molecular formula
- C22H29NO
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.22491455
Names & identifiers
- Preferred name
- 3-(Azepan-1-yl)-2-methyl-1,1-diphenylpropan-1-ol
- IUPAC
- 3-(azepan-1-yl)-2-methyl-1,1-diphenylpropan-1-ol
Names & synonyms
3-(azepan-1-yl)-2-methyl-1,1-diphenylpropan-1-ol4082-37-5DTXSID50961233RefChem:1066980DTXCID801389065Hexahydro-alpha,alpha-diphenyl-beta-methyl-1H-azepine-1-propanolBRN 13225191H-AZEPINE-1-PROPANOL, HEXAHYDRO-alpha,alpha-DIPHENYL-beta-METHYL-5-20-04-00020 (Beilstein Handbook Reference)
Database identifiers
- CAS
4082-37-5- PubChem CID
- 20015
- DTXSID
DTXSID50961233- Nikkaji
- J84.640F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…