Basic information
- CAS
84218-39-3- Standard SMILES
COc1cc2c(cc1OC)C(Cc1c[nH]c3ccccc13)N(CNc1ccc(Cl)cc1)CC2- InChIKey
WEXSNCVYCSJXRH-UHFFFAOYSA-N- Molecular formula
- C27H28ClN3O2
- Average molar mass
- 462 g/mol
- Monoisotopic mass
- 461.1870048
Names & identifiers
- Preferred name
- 2(1H)-Isoquinolinemethanamine, 3,4-dihydro-N-(4-chlorophenyl)-6,7-dimethoxy-1-(1H-indol-3-ylmethyl)-
- IUPAC
- 4-chloro-N-[[1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]aniline
- English name
- 2(1H)-Isoquinolinemethanamine, 3,4-dihydro-N-(4-chlorophenyl)-6,7-dime thoxy-1-(1H-indol-3-ylmethyl)-
- Molecular weight
- 0
Names & synonyms
84218-39-32(1H)-Isoquinolinemethanamine, 3,4-dihydro-N-(4-chlorophenyl)-6,7-dimethoxy-1-(1H-indol-3-ylmethyl)-RefChem:241199DTXSID5010044782(1H)-Isoquinolinemethanamine,3,4-dihydro-N-(4-chlorophenyl)-6,7-dimethoxy-1-(1H-indol-3-ylmethyl)-4-Chloro-N-({1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}methyl)aniline2(1H)-Isoquinolinemethanamine, 3,4-dihydro-N-(4-chlorophenyl)-6,7-dime thoxy-1-(1H-indol-3-ylmethyl)-
Database identifiers
- CAS
84218-39-3- PubChem CID
- 3069005
- DTXSID
DTXSID501004478
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 616
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…