Basic information
- CAS
170493-64-8- Standard SMILES
COc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2(C)C- InChIKey
BVTYPXOYRUAGFD-NSHDSACASA-N- Molecular formula
- C17H22N2O
- Average molar mass
- 270.37 g/mol
- Monoisotopic mass
- 270.17321333
Names & identifiers
- Preferred name
- Indeno(1,2-b)pyrrole-1(4H)-ethanamine, 7-methoxy-alpha,4,4-trimethyl-, (S)-
- IUPAC
- (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
Names & synonyms
RO 60-0383170493-64-8Indeno(1,2-b)pyrrole-1(4H)-ethanamine, 7-methoxy-alpha,4,4-trimethyl-, (S)-SCHEMBL8597559DTXSID90168865(2S)-1-(7-Methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1(4H)-yl)propan-2-amineIndeno(1,2-b)pyrrole-1(4H)-ethanamine, 7-methoxy-alpha,4,4-trimethyl-, (alphaS)-
Database identifiers
- CAS
170493-64-8- PubChem CID
- 3045240
- DTXSID
DTXSID90168865- Nikkaji
- J873.225F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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