Basic information
- CAS
102395-76-6- Standard SMILES
Clc1ccc(C(c2ccccc2)N2CCc3ccccc3C2)cc1- InChIKey
CXCQFEOQOQSCFQ-UHFFFAOYSA-N- Molecular formula
- C22H20ClN
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.1284273
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)-
- IUPAC
- 2-[(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
Names & synonyms
102395-76-6N-(4'-Chlorodiphenylmethyl)-1,2,3,4-tetrahydroisoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO 2-(alpha-(p-CHLOROPHENYL)BENZYL)-RefChem:3498862-[(4-chlorophenyl)(phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline2-[(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinolineDTXSID70907471AKOS034350883AB00980016-01Z44491150
Database identifiers
- CAS
102395-76-6- PubChem CID
- 59340
- DTXSID
DTXSID70907471- Nikkaji
- J68.849E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…