Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-
Basic information
- CAS
4509-85-7- Standard SMILES
c1ccc(-c2[nH]c3ccccc3c2CCN2CCCCCC2)cc1- InChIKey
SXZFPSNZDICOEH-UHFFFAOYSA-N- Molecular formula
- C22H26N2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.20959884
Names & identifiers
- Preferred name
- Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-
- IUPAC
- 3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole
- English name
- Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-
- Molecular formula
- C22H26N2
- Molecular weight
- 318.46
Names & synonyms
4509-85-7BRN 0493116INDOLE, 3-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL)-2-PHENYL-3-(2-(Hexahydro-1H-azepin-1-yl)ethyl)-2-phenylindoleDTXSID801963795-22-11-00109 (Beilstein Handbook Reference)RefChem:349216DTXCID401188703-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indoleSCHEMBL8524422L0187481H-Indole, 3-[2-(hexahydro-1H-azepin-1-yl)ethyl]-2-phenyl-
Database identifiers
- CAS
4509-85-7- PubChem CID
- 20598
- DTXSID
DTXSID80196379
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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